diff --git a/.DS_Store b/.DS_Store index 6cbaa83d..133060ee 100644 Binary files a/.DS_Store and b/.DS_Store differ diff --git a/CMakeLists.txt b/CMakeLists.txt index 5d2431d0..87b1d09c 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -32,9 +32,9 @@ project( LANGUAGES C CXX ) -#set(CMAKE_INSTALL_PREFIX "${PROJECT_SOURCE_DIR}/installed" CACHE PATH "Installation directory" FORCE) +set(CMAKE_INSTALL_PREFIX "$ENV{LIBEFP_DIR}" CACHE PATH "Installation directory" FORCE) #set(CMAKE_INSTALL_PREFIX "${LIBEFP_DIR}" CACHE PATH "Installation directory") -set(CMAKE_INSTALL_LIBDIR "lib") +#set(CMAKE_INSTALL_LIBDIR "lib") ### LVS needs this on MacOS silicon set(CMAKE_CXX_STANDARD 17) @@ -81,7 +81,7 @@ if((${BUILD_SHARED_LIBS}) AND NOT ${BUILD_FPIC}) endif() ### This option turns OPENMP ON and OFF! -option_with_print(LIBEFP_ENABLE_OPENMP "Enable OpenMP parallelization. Psi4 wants OFF" ON) +option_with_print(LIBEFP_ENABLE_OPENMP "Enable OpenMP parallelization. Psi4 wants OFF" OFF) option_with_print(ENABLE_GENERIC "Enable mostly static linking in shared library" OFF) include(xhost) # defines: option(ENABLE_XHOST "Enable processor-specific optimization" ON) @@ -232,8 +232,8 @@ install(FILES fraglib/makefp.inp install(DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/fraglib DESTINATION ${CMAKE_INSTALL_DATADIR}/${efp}) -install(DIRECTORY ${PROJECT_SOURCE_DIR}/nnlib - DESTINATION ${CMAKE_INSTALL_DATADIR}/${efp}) +#install(DIRECTORY ${PROJECT_SOURCE_DIR}/nnlib +# DESTINATION ${CMAKE_INSTALL_DATADIR}/${efp}) # headers NOT namespace protected install(FILES ${src_prefix}/efp.h diff --git a/EFP2.C b/EFP2.C index a125ad56..5f03acca 100644 --- a/EFP2.C +++ b/EFP2.C @@ -10,28 +10,19 @@ #include #include #include +#include #include "EFP2.h" #include "libefp/src/efp.h" -struct user_data -{ - double *density_matrix; - double *qm_field_save; - INTEGER code; - size_t dm_size; -}; - struct EFP2_impl { double wf_dep_energy_gs; double integral_ene; double Escf; double state_energy; - double *id_gs; - double *idt_gs; - double *qm_field_es; - struct user_data user_data; + double *density_matrix; + INTEGER code; struct efp *efp; /* True if field due to EFP multipoles need to be (re)computed. */ bool if_multipole_field; @@ -60,37 +51,123 @@ static int string_compare(const void *a, const void *b) return strcmp(s1, s2); } -// calculate electrostatic field from electrons in qm subsystem -static enum efp_result get_electron_density_field(size_t n_pt, - const double *xyz, double *field, void *user_data) -{ - if (!user_data) +/* +// calculates electrostatic field due to electrons of QM subsystem +static enum efp_result compute_electron_density_field(struct efp *efp, double *densityMatrix) { + + if (densityMatrix == NULL) return EFP_RESULT_FATAL; - double *densityMatrix = ((struct user_data *)user_data)->density_matrix; - double *pef_ab = new double[n_pt*3]; + ShlPrs s2BraOrg(DEF_ID); + ShlPrs s2KetOrg = s2BraOrg; + ShlPrs s2Bra(s2BraOrg.code(), SHLPR_CFMM); + ShlPrs s2Ket(s2KetOrg.code(), SHLPR_CFMM); + + size_t n_frag; + check_fail(efp_get_frag_count(efp, &n_frag)); + + for (size_t fr_i = 0; fr_i < n_frag; fr_i++) { + size_t n_pt; + check_fail(efp_get_frag_induced_dipole_count(efp, fr_i, &n_pt)); + + for (size_t j = 0; j < n_pt; j++) { + struct efp_pol_pt *pt; + pt = (struct efp_pol_pt *) malloc(sizeof(struct efp_pol_pt)); + check_fail(efp_get_frag_pol_pt(efp, fr_i, j, pt)); + + double xyz[3] = {pt->x, pt->y, pt->z}; + double pef_ab[3] = {0.0, 0.0, 0.0}; + size_t n_1 = 1; + int n_1_int = (int)n_1; + + AOints(pef_ab, NULL, NULL, NULL, densityMatrix, xyz, NULL, NULL, + &n_1_int, 112, s2Bra, s2Ket); + + pt->ai_field[0] = -pef_ab[0]; + pt->ai_field[1] = -pef_ab[1]; + pt->ai_field[2] = -pef_ab[2]; + + check_fail(save_ai_field_pol_pt(efp, pt, fr_i, j)); + } + } + return EFP_RESULT_SUCCESS; +} +*/ + +// calculates electrostatic field due to electrons of QM subsystem +static enum efp_result compute_electron_density_field(struct efp *efp, double *densityMatrix) { + + if (densityMatrix == NULL) + return EFP_RESULT_FATAL; - memset(field, 0, n_pt*3*sizeof(double)); - memset(pef_ab, 0, n_pt*3*sizeof(double)); + qtime_t Timer = QTimerOn(); + double TimeForElField[3]; ShlPrs s2BraOrg(DEF_ID); ShlPrs s2KetOrg = s2BraOrg; ShlPrs s2Bra(s2BraOrg.code(), SHLPR_CFMM); ShlPrs s2Ket(s2KetOrg.code(), SHLPR_CFMM); - int n_pt_int = (int)n_pt; - AOints(pef_ab, NULL, NULL, NULL, densityMatrix, xyz, NULL, NULL, - &n_pt_int, 112, s2Bra, s2Ket); + size_t n_frag = 0, n_id = 0; + check_fail(efp_get_frag_count(efp, &n_frag)); + check_fail(efp_get_induced_dipole_count(efp, &n_id)); - VRneg(pef_ab, 3*n_pt); - VRadd2(field, pef_ab, 3*n_pt); + double *xyz_id = new double[n_id * 3]; + check_fail(efp_get_induced_dipole_coordinates(efp, xyz_id)); + //double *pef_ab = new double[n_id * 3]; + double *pef_ab; + pef_ab = (double*)calloc(n_id * 3, sizeof(double)); + + int n_id_int = (int)n_id; + + AOints(pef_ab, NULL, NULL, NULL, densityMatrix, xyz_id, NULL, NULL, + &n_id_int, 112, s2Bra, s2Ket); + + check_fail(save_ai_field(efp, pef_ab)); + free(pef_ab); + + QTimerOff(TimeForElField,Timer); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP compute_electron_density_field(): %.1f s (CPU) %.1f s (wall)\n",TimeForElField[0],TimeForElField[2]); + + return EFP_RESULT_SUCCESS; +} + +static enum efp_result compute_qmmm_electronic_gradient(struct efp *efp, double *densityMatrix, double *grad) { + + if (densityMatrix == NULL) { + printf("\n No density matrix found in compute_qmmm_gradient(). Abort. \n "); + return EFP_RESULT_FATAL; + } + + size_t n_frag; + check_fail(efp_get_frag_count(efp, &n_frag)); + + size_t NAtoms = 0; + for (size_t fr_i = 0; fr_i < n_frag; fr_i++) { + if (rem_read(REM_EFP_QM_FRAGMENT) == fr_i) continue; + size_t n_atom; + check_fail(efp_get_frag_atom_count(efp, fr_i, &n_atom)); + NAtoms += n_atom; + } + + double *charges = (double *)malloc(NAtoms * sizeof(double)); + double *coords = (double *)malloc( 3*NAtoms * sizeof(double)); - double *qm_field_save = ((struct user_data *)user_data)->qm_field_save; + check_fail(efp_get_atom_mm_info(efp, charges, coords)); + int NAT = (int)NAtoms; - if (qm_field_save) - memcpy(qm_field_save, pef_ab, 3 * n_pt * sizeof(double)); + //size_t QM_atoms; + //check_fail(efp_get_point_charge_count(efp, &QM_atoms)); + //double *jEx = QAllocDoubleWithInit(3*QM_atoms); - delete[] pef_ab; + AOints(grad, NULL, NULL, NULL, densityMatrix, coords, charges, NULL, &NAT, -111); + + //memcpy( jEx, grad, sizeof(double)*3*QM_atoms); + //printf("\n QM_atoms = %u \n", QM_atoms); + //for (size_t i=0; i<3*QM_atoms; i++) { + // printf("grad %lf\n", jEx[i]); + //} return EFP_RESULT_SUCCESS; } @@ -221,6 +298,12 @@ static void set_rem_defaults() rem_write(0, REM_EFP_QM_DISP_DAMP); if (RemUninitialized(REM_EFP_QM_EXREP_DAMP)) rem_write(0, REM_EFP_QM_EXREP_DAMP); + + if (RemUninitialized(REM_EFP_QMMM)) + rem_write(0, REM_EFP_QMMM); + if (RemUninitialized(REM_EFP_QM_FRAGMENT)) + rem_write(-100, REM_EFP_QM_FRAGMENT); + if (RemUninitialized(REM_EFP_DIRECT_POLARIZATION_DRIVER)) rem_write(0, REM_EFP_DIRECT_POLARIZATION_DRIVER); if (RemUninitialized(REM_EFP_ENABLE_LINKS)) @@ -231,6 +314,10 @@ static void set_rem_defaults() rem_write(0, REM_EFP_PAIRWISE); if (RemUninitialized(REM_EFP_ORDER)) rem_write(2, REM_EFP_ORDER); + if (RemUninitialized(REM_EFP_PRINT)) + rem_write(0, REM_EFP_PRINT); + if (RemUninitialized(REM_EFP_POL_FIELD_UPDATE)) + rem_write(1, REM_EFP_POL_FIELD_UPDATE); } EFP2::EFP2() @@ -243,10 +330,7 @@ EFP2::~EFP2() { if (impl_) { efp_shutdown(impl_->efp); - delete[] impl_->id_gs; - delete[] impl_->idt_gs; - delete[] impl_->qm_field_es; - free(impl_->user_data.density_matrix); + free(impl_->density_matrix); } delete impl_; } @@ -294,7 +378,7 @@ void EFP2::init(InputSection& is) coord.push_back(tl[1].GetDouble() * unitconv); coord.push_back(tl[2].GetDouble() * unitconv); coord.push_back(tl[3].GetDouble() * unitconv); - } + } } else if (rem_read(REM_EFP_INPUT) < 0) { coord.push_back(tl[1].GetDouble() * unitconv); coord.push_back(tl[2].GetDouble() * unitconv); @@ -376,6 +460,11 @@ void EFP2::init(InputSection& is) case 1: opts.pol_damp = EFP_POL_DAMP_TT; printf("EFP polarization damping is Tang-Toennies damping\n"); + opts.pol_damp_tt_value = 0.6; + if (rem_read(REM_EFP_POL_DAMP_TT_VALUE) > 0) { + opts.pol_damp_tt_value = rem_read(REM_EFP_POL_DAMP_TT_VALUE)/1000.0; + } + printf("EFP polarization damping factor = %f", opts.pol_damp_tt_value); break; default: QCrash("unknown EFP_POL_DAMP value"); @@ -415,11 +504,122 @@ void EFP2::init(InputSection& is) opts.terms &= ~EFP_TERM_AI_XR; } + switch (rem_read(REM_EFP_QMMM)) { + //keyword not active + case 0: + opts.terms &= ~EFP_TERM_QQ; + opts.terms &= ~EFP_TERM_LJ; + opts.terms &= ~EFP_TERM_AI_QQ; + opts.special_terms &= ~EFP_SPEC_TERM_ELEC; + opts.special_terms &= ~EFP_SPEC_TERM_POL; + opts.special_terms &= ~EFP_SPEC_TERM_DISP; + opts.special_terms &= ~EFP_SPEC_TERM_XR; + opts.special_terms &= ~EFP_SPEC_TERM_QQ; + opts.special_terms &= ~EFP_SPEC_TERM_LJ; + opts.special_fragment = -100; + break; + // turn off all efp terms, do mechanical embedding QM/MM + case 1: + opts.terms |= EFP_TERM_QQ; + opts.terms |= EFP_TERM_LJ; + opts.special_terms |= EFP_SPEC_TERM_QQ; + opts.special_terms |= EFP_SPEC_TERM_LJ; + // and turn off everything EFP-related + opts.terms &= ~EFP_TERM_AI_QQ; + opts.terms &= ~EFP_TERM_ELEC; + opts.terms &= ~EFP_TERM_POL; + opts.terms &= ~EFP_TERM_DISP; + opts.terms &= ~EFP_TERM_XR; + opts.terms &= ~EFP_TERM_AI_ELEC; + opts.terms &= ~EFP_TERM_AI_POL; + opts.terms &= ~EFP_TERM_AI_DISP; + opts.terms &= ~EFP_TERM_AI_XR; + opts.special_terms &= ~EFP_SPEC_TERM_ELEC; + opts.special_terms &= ~EFP_SPEC_TERM_POL; + opts.special_terms &= ~EFP_SPEC_TERM_DISP; + opts.special_terms &= ~EFP_SPEC_TERM_XR; + opts.special_fragment = rem_read(REM_EFP_QM_FRAGMENT); + break; + + // standard electrostatic embedding QM/MM with LJ terms between QM and MM + // and between EFPs; + case 2: + opts.terms |= EFP_TERM_AI_QQ; // QM-MM-like electrostatics + opts.terms |= EFP_TERM_QQ; // MM-MM electrostatics between fragments + opts.terms |= EFP_TERM_LJ; // LJ between fragments + opts.special_terms &= ~EFP_SPEC_TERM_QQ; // exclude MM-MM electrostatics between "QM" frag and rest + opts.special_terms |= EFP_SPEC_TERM_LJ; // LJ between "QM" fragment and rest + + // and turn off everything EFP-related + opts.terms &= ~EFP_TERM_ELEC; + opts.terms &= ~EFP_TERM_POL; + opts.terms &= ~EFP_TERM_DISP; + opts.terms &= ~EFP_TERM_XR; + opts.terms &= ~EFP_TERM_AI_ELEC; + opts.terms &= ~EFP_TERM_AI_POL; + opts.terms &= ~EFP_TERM_AI_DISP; + opts.terms &= ~EFP_TERM_AI_XR; + opts.special_terms &= ~EFP_SPEC_TERM_ELEC; + opts.special_terms &= ~EFP_SPEC_TERM_POL; + opts.special_terms &= ~EFP_SPEC_TERM_DISP; + opts.special_terms &= ~EFP_SPEC_TERM_XR; + + opts.special_fragment = rem_read(REM_EFP_QM_FRAGMENT); + break; + + // electrostatic embedding QM/MM with LJ term between QM and MM; + // EFP-EFP terms as given in input + case 3: + opts.terms |= EFP_TERM_AI_QQ; // QM-MM-like electrostatics + opts.terms &= ~EFP_TERM_QQ; // turn off MM-MM electrostatics between fragments + opts.terms &= ~EFP_TERM_LJ; // turn off LJ between fragments + opts.special_terms &= ~EFP_SPEC_TERM_QQ; // exclude MM-MM electrostatics between "QM" frag and rest + opts.special_terms |= EFP_SPEC_TERM_LJ; // LJ between "QM" fragment and rest + + // and turn off QM-EFP couplings + opts.terms &= ~EFP_TERM_AI_ELEC; + opts.terms &= ~EFP_TERM_AI_POL; + opts.terms &= ~EFP_TERM_AI_DISP; + opts.terms &= ~EFP_TERM_AI_XR; + opts.special_terms &= ~EFP_SPEC_TERM_ELEC; + opts.special_terms &= ~EFP_SPEC_TERM_POL; + opts.special_terms &= ~EFP_SPEC_TERM_DISP; + opts.special_terms &= ~EFP_SPEC_TERM_XR; + + opts.special_fragment = rem_read(REM_EFP_QM_FRAGMENT); + break; + + // QM/EFP with LJ between QM and EFP region added; + // other terms as given in input + case 4: + opts.terms &= ~EFP_TERM_AI_QQ; // turn off QM-MM-like electrostatics + opts.terms &= ~EFP_TERM_QQ; // turn off MM-MM electrostatics between fragments + opts.terms &= ~EFP_TERM_LJ; // turn off LJ between fragments + opts.special_terms &= ~EFP_SPEC_TERM_QQ; // turn off MM-MM electrostatics between "QM" frag and rest + opts.special_terms |= EFP_SPEC_TERM_LJ; // LJ between "QM" fragment and rest + + // turn off QM-EFP dispersion and exchange + opts.terms &= ~EFP_TERM_AI_DISP; + opts.terms &= ~EFP_TERM_AI_XR; + // and turn off things between "QM" fragments and the rest + opts.special_terms &= ~EFP_SPEC_TERM_ELEC; + opts.special_terms &= ~EFP_SPEC_TERM_POL; + opts.special_terms &= ~EFP_SPEC_TERM_DISP; + opts.special_terms &= ~EFP_SPEC_TERM_XR; + + opts.special_fragment = rem_read(REM_EFP_QM_FRAGMENT); + break; + } + if (rem_read(REM_EFP_PAIRWISE)) { opts.enable_pairwise = 1; opts.ligand = -1; } + if (rem_read(REM_EFP_PRINT)) { + opts.print = rem_read(REM_EFP_PRINT); + } + if (rem_read(REM_EFP_ORDER) == 1) { opts.terms &= ~EFP_TERM_AI_POL; opts.terms &= ~EFP_TERM_AI_DISP; @@ -459,7 +659,6 @@ void EFP2::init(InputSection& is) for (size_t i = 0; i < n_frags; i++) check_fail(efp_add_fragment(impl_->efp, fragname[i].c_str())); - check_fail(efp_set_electron_density_field_fn(impl_->efp, get_electron_density_field)); check_fail(efp_prepare(impl_->efp)); if (rem_read(REM_EFP_ENABLE_LINKS)) @@ -471,80 +670,102 @@ void EFP2::init(InputSection& is) //check_fail(efp_set_coordinates(impl_->efp, EFP_COORD_TYPE_ATOMS, &coord.front())); check_fail(efp_set_coordinates(impl_->efp, EFP_COORD_TYPE_POINTS, &coord.front())); - size_t n_dip; - check_fail(efp_get_induced_dipole_count(impl_->efp, &n_dip)); - - impl_->id_gs = new double[n_dip * 3]; - impl_->idt_gs = new double[n_dip * 3]; - impl_->qm_field_es = new double[n_dip * 3]; - + // Q-Chem computes hcore integrals twice, but we do not want to compute them first time impl_->if_multipole_field = true; impl_->if_pol_field = true; - printf("\n\nGEOMETRY OF EFP SUBSYSTEM\n\n"); - print_geometry(); + if (rem_read(REM_EFP_PRINT) > 0) { + printf("\n\nGEOMETRY OF EFP SUBSYSTEM\n\n"); + print_geometry(); + } } - void EFP2::reorient_geometry() { if (rem_read(REM_EFP_FRAGMENTS_ONLY)) return; - size_t n_frags; - std::vector coord; - GenMatrix qcorigin(3, 1); - GenMatrix qcrotmat(3, 3); + if (rem_read(REM_EFP_PRINT) > 1) { + printf("\n\n in EFP2::reorient_geometry()\n\n"); + } + + static int counter = 0; - check_fail(efp_get_frag_count(impl_->efp, &n_frags)); + // we assume QM origin and orientation are not changed in q-chem run... + // so arrange EFP region with respect to QM region only once + if (counter == 0) { + size_t n_frags; + std::vector coord; + GenMatrix qcorigin(3, 1); + GenMatrix qcrotmat(3, 3); - FileMan_Open_Read(FILE_NEW_GEOM_ORIGIN); - qcorigin.ReadFromDisk(FILE_NEW_GEOM_ORIGIN); - FileMan_Close(FILE_NEW_GEOM_ORIGIN); + check_fail(efp_get_frag_count(impl_->efp, &n_frags)); - FileMan_Open_Read(FILE_ORIENT_MATRIX); - qcrotmat.ReadFromDisk(FILE_ORIENT_MATRIX); - FileMan_Close(FILE_ORIENT_MATRIX); + FileMan_Open_Read(FILE_NEW_GEOM_ORIGIN); + qcorigin.ReadFromDisk(FILE_NEW_GEOM_ORIGIN); + FileMan_Close(FILE_NEW_GEOM_ORIGIN); - coord.resize(6 * n_frags); - check_fail(efp_get_coordinates(impl_->efp, &coord.front())); + FileMan_Open_Read(FILE_ORIENT_MATRIX); + qcrotmat.ReadFromDisk(FILE_ORIENT_MATRIX); + FileMan_Close(FILE_ORIENT_MATRIX); - for (size_t i = 0; i < n_frags; i++) { - GenMatrix pos(3, 1), posrot(3, 1); + coord.resize(6 * n_frags); + check_fail(efp_get_coordinates(impl_->efp, &coord.front())); + + for (size_t i = 0; i < n_frags; i++) { + GenMatrix pos(3, 1), posrot(3, 1); + + pos(0, 0) = coord[6 * i + 0] - qcorigin(0, 0); + pos(1, 0) = coord[6 * i + 1] - qcorigin(1, 0); + pos(2, 0) = coord[6 * i + 2] - qcorigin(2, 0); + + MatMult(posrot, qcrotmat, pos); - pos(0, 0) = coord[6 * i + 0] - qcorigin(0, 0); - pos(1, 0) = coord[6 * i + 1] - qcorigin(1, 0); - pos(2, 0) = coord[6 * i + 2] - qcorigin(2, 0); + coord[6 * i + 0] = posrot(0, 0); + coord[6 * i + 1] = posrot(1, 0); + coord[6 * i + 2] = posrot(2, 0); - MatMult(posrot, qcrotmat, pos); + double a = coord[6 * i + 3]; + double b = coord[6 * i + 4]; + double c = coord[6 * i + 5]; - coord[6 * i + 0] = posrot(0, 0); - coord[6 * i + 1] = posrot(1, 0); - coord[6 * i + 2] = posrot(2, 0); + GenMatrix rotmat(3, 3), prod(3, 3); + euler_to_matrix(a, b, c, rotmat); + MatMult(prod, qcrotmat, rotmat); + matrix_to_euler(prod, &a, &b, &c); - double a = coord[6 * i + 3]; - double b = coord[6 * i + 4]; - double c = coord[6 * i + 5]; + coord[6 * i + 3] = a; + coord[6 * i + 4] = b; + coord[6 * i + 5] = c; + } - GenMatrix rotmat(3, 3), prod(3, 3); - euler_to_matrix(a, b, c, rotmat); - MatMult(prod, qcrotmat, rotmat); - matrix_to_euler(prod, &a, &b, &c); + check_fail(efp_set_coordinates(impl_->efp, EFP_COORD_TYPE_XYZABC, + &coord.front())); - coord[6 * i + 3] = a; - coord[6 * i + 4] = b; - coord[6 * i + 5] = c; + rem_write(0, REM_ISYM_RQ); + rem_write(0, REM_CC_SYMMETRY); + rem_write(1, REM_SYM_IGNORE); } - check_fail(efp_set_coordinates(impl_->efp, EFP_COORD_TYPE_XYZABC, - &coord.front())); + // update position of a special fragment + if (rem_read(REM_EFP_QM_FRAGMENT) > -1) { + + double *jA, *nucChg; + INTEGER *iAtNo, NAtoms; + + get_carts(NULL, &jA, &iAtNo, &NAtoms); + nucChg = effectiveNucCharges(); + + check_fail(efp_set_point_charges(impl_->efp, NAtoms, nucChg, jA)); + check_fail(update_special_fragment(impl_->efp, jA)); + } - rem_write(0, REM_ISYM_RQ); - rem_write(0, REM_CC_SYMMETRY); - rem_write(1, REM_SYM_IGNORE); + counter++; - printf("\n\nREORIENTED EFP GEOMETRY\n\n"); - print_geometry(); + if (rem_read(REM_EFP_PRINT) > 0) { + printf("\n\nREORIENTED EFP GEOMETRY\n\n"); + print_geometry(); + } } void EFP2::print_geometry() @@ -581,13 +802,11 @@ bool EFP2::get_if_multipole_field() { return impl_->if_multipole_field; } -void EFP2::update_multipole_field() { - // printf("\n in update_multipole_field"); - // if (impl_->if_multipole_field) impl_->if_multipole_field = false; - // need to compute two times: why??? - static int counter = 0; - counter++; - if (counter > 1) impl_->if_multipole_field = false; +void EFP2::update_multipole_field(bool true_false) { + if (true_false) + impl_->if_multipole_field = true; + else + impl_->if_multipole_field = false; } bool EFP2::get_if_pol_field() { @@ -595,72 +814,49 @@ bool EFP2::get_if_pol_field() { return impl_->if_pol_field; } +void EFP2::set_if_pol_field(bool true_false) { + // printf("\n pol_field %s", impl_->if_pol_field ? "true":"false"); + impl_->if_pol_field = true_false; +} + void EFP2::update_pol_field() { - // compute every other time - // printf("\n in update_pol_field"); - impl_->if_pol_field = !impl_->if_pol_field; + + static int pol_field_counter = 0; + impl_->if_pol_field = true; + + if (pol_field_counter % rem_read(REM_EFP_POL_FIELD_UPDATE) != 0) + impl_->if_pol_field = false; + + pol_field_counter++; } double EFP2::get_excited_state_energy_correction(double *w, size_t n_elem, double Ecis) { double energy = 0.0; - size_t size = n_elem * sizeof(double); - impl_->user_data.qm_field_save = impl_->qm_field_es; - impl_->user_data.density_matrix = (double *)realloc(impl_->user_data.density_matrix, size); - memcpy(impl_->user_data.density_matrix, w, size); + size_t size = n_elem * sizeof(double); + impl_->density_matrix = (double *)realloc(impl_->density_matrix, size); + memcpy(impl_->density_matrix, w, size); - // calling it here before updating the induced dipoles - if (rem_read(REM_EFP_ORDER)!=0) - get_pairwise_energy(Ecis, 1); + // compute elec and pol integral pairwise contributions before updating the induced dipoles + if (rem_read(REM_EFP_PAIRWISE) && rem_read(REM_EFP_ORDER) > 0) + compute_integral_pairwise_energy(Ecis, 1); - // do not bother about polarization correction for efp_order = 1 - if (rem_read(REM_EFP_ORDER)!=1) { - check_fail(efp_set_electron_density_field_user_data(impl_->efp, &impl_->user_data)); + // do not bother about polarization correction for efp_order = 1 or if no polarization + if (rem_read(REM_EFP_ORDER) > 1 && rem_read(REM_EFP_POL) != 0 && rem_read(REM_EFP_QM_POL) != 0) { + check_fail(compute_electron_density_field(impl_->efp, w)); check_fail(efp_get_wavefunction_dependent_energy_correction(impl_->efp, &energy)); } - /* - size_t n_dip; - check_fail(efp_get_induced_dipole_count(impl_->efp, &n_dip)); - - double *id = new double[3 * n_dip]; - double *idt = new double[3 * n_dip]; - double *did = new double[3 * n_dip]; - double *didt = new double[3 * n_dip]; - - check_fail(efp_get_induced_dipole_values(impl_->efp, id)); - check_fail(efp_get_induced_dipole_conj_values(impl_->efp, idt)); - - VRsub(did, id, impl_->id_gs, n_dip * 3); - VRsub(didt, idt, impl_->idt_gs, n_dip * 3); - - // correction to CI energy: difference in CI/EOM and HF AI polarization energies - double dE_CI1 = energy - impl_->wf_dep_energy_gs; - // correction to CI energy: (ind_CI-ind_HF)*field_CI - double dE_CI2 = 0.0; - - for (size_t i = 0; i < n_dip; i++) { - dE_CI2 -= 0.5 * (did[3 * i + 0] + didt[3 * i + 0]) * impl_->qm_field_es[3 * i + 0]; - dE_CI2 -= 0.5 * (did[3 * i + 1] + didt[3 * i + 1]) * impl_->qm_field_es[3 * i + 1]; - dE_CI2 -= 0.5 * (did[3 * i + 2] + didt[3 * i + 2]) * impl_->qm_field_es[3 * i + 2]; - } - - delete[] id; - delete[] idt; - delete[] did; - delete[] didt; -*/ - // calling second time - beware - if (rem_read(REM_EFP_ORDER)!=0) { - //get_pairwise_energy(Ecis + energy, 1); + // print pairwise energies if requested + if (rem_read(REM_EFP_PAIRWISE) && rem_read(REM_EFP_ORDER) > 0) { print_pairwise_energy(1); } - //return (dE_CI1 + dE_CI2); return (energy); } +/* #include #include #include @@ -849,192 +1045,671 @@ void EFP2::update_wf_qints(double *h, INTEGER code) xyz_ptr = NULL; } - VRadd(h, h, pkd_vmul.memptr(), NB2); + VRadd(h , h, pkd_vmul.memptr(), NB2); } +*/ + +#include +#include +#include +#include +#include +#include +using libqints::qchem::aobasis; /* -void EFP2::update_mult_ints(double *h, INTEGER code) +void EFP2::update_mult_qints(double *h, INTEGER code) { - impl_->user_data.code = code; - if (rem_read(REM_EFP_FRAGMENTS_ONLY) || rem_read(REM_EFP_QM_ELEC) == 0 || rem_read(REM_EFP_ORDER) != 2) - return; - printf("Compute multipole integrals \n"); - INTEGER NB2 = rem_read(REM_NB2); - - threading_policy::enable_omp_only(); libqints::dev_omp dev; dev.init(1024); - threading_policy::pop(); + dev.memory = (size_t)(rem_read(REM_MEM_TOTAL)) * 1024 * 1024 / dev.nthreads; - if ((rem_read(REM_USE_LIBQINTS) != 0 && dev.nthreads > 1) || (rem_read(REM_USE_LIBQINTS) > 0)) // && rem_read(REM_EFP_PAIRWISE) == 0) - { - update_wf_qints(h, code); - return; - } + qtime_t Timer = QTimerOn(); + double TimeForMultInt[3]; - size_t n_mult; + // Get sizes of all objects and initialize + size_t nbsf = aobasis.b1.get_nbsf(); + size_t n_mult = 0, n_frag = 0; check_fail(efp_get_multipole_count(impl_->efp, &n_mult)); - double *xyz_mult = new double[n_mult * 3]; - check_fail(efp_get_multipole_coordinates(impl_->efp, xyz_mult)); - double *mult = new double[n_mult * (1 + 3 + 6 + 10)]; - check_fail(efp_get_multipole_values(impl_->efp, mult)); - - // size_t n_frag; - // check_fail(efp_get_frag_count(impl_->efp, &n_frag)); - - size_t n_atoms = 0; - for (size_t i = 0; i < n_frag; i++) { - size_t nat; - check_fail(efp_get_frag_atom_count(impl_->efp, i, &nat)); - n_atoms += nat; - } - - double *z_ptr, *xyz_ptr, *ai_screen_ptr, *ai_screen_ptr2; - - INTEGER n_charges = n_atoms + n_mult; - double *z_c = new double[n_charges]; - double *xyz_c = new double[3 * n_charges]; - double *ai_screen = new double[n_charges]; - - memset(ai_screen, 0, n_charges * sizeof(double)); + check_fail(efp_get_frag_count(impl_->efp, &n_frag)); - for (size_t i = 0; i < n_mult; i++) { - z_c[i] = mult[i * 20]; - xyz_c[3 * i + 0] = xyz_mult[3 * i + 0]; - xyz_c[3 * i + 1] = xyz_mult[3 * i + 1]; - xyz_c[3 * i + 2] = xyz_mult[3 * i + 2]; + arma::vec mono; // monopole (used when damping is required) + arma::vec mono_screen; // damping parameters for all monopole + arma::mat mono_coord; // Cartesian coordinate of all monopole + if (rem_read(REM_EFP_QM_ELEC_DAMP) != 0) + { + mono.set_size(n_mult); + mono_screen.set_size(n_mult); + mono_coord.set_size(3, n_mult); } - z_ptr = z_c + n_mult; - xyz_ptr = xyz_c + n_mult * 3; - ai_screen_ptr = ai_screen; - ai_screen_ptr2 = ai_screen + n_mult; - - for (size_t i = 0; i < n_frag; i++) { - size_t nat, nfragmult; - check_fail(efp_get_frag_atom_count(impl_->efp, i, &nat)); - - struct efp_atom *atoms = new struct efp_atom[nat]; - check_fail(efp_get_frag_atoms(impl_->efp, i, nat, atoms)); - - check_fail(efp_get_frag_multipole_count(impl_->efp, i, - &nfragmult)); - if (rem_read(REM_EFP_QM_ELEC_DAMP) != 0) { - check_fail(efp_get_ai_screen(impl_->efp, i, - ai_screen_ptr)); - } - - for (size_t j = 0; j < nat; j++) { - *z_ptr++ = atoms[j].znuc; - *xyz_ptr++ = atoms[j].x; - *xyz_ptr++ = atoms[j].y; - *xyz_ptr++ = atoms[j].z; - } - - ai_screen_ptr += nfragmult; - delete[] atoms; - } + // // Read and compute atoms + // arma::mat vmul_atm(nbsf, nbsf, arma::fill::zeros); + // { + // std::vector vfm(n_mult); + // double *ai_screen_ptr = NULL; + // if (rem_read(REM_EFP_QM_ELEC_DAMP) != 0) ai_screen_ptr = mono_screen.memptr(); + // arma::vec mom(n_atoms); + // for (size_t i = 0, iatom = 0; i < n_frag; i++) + // { + // size_t nat, nfragmult; + // check_fail(efp_get_frag_atom_count(impl_->efp, i, &nat)); + // check_fail(efp_get_frag_multipole_count(impl_->efp, i, &nfragmult)); + // if (rem_read(REM_EFP_QM_ELEC_DAMP) != 0) + // { + // check_fail(efp_get_ai_screen(impl_->efp, i, ai_screen_ptr)); + // ai_screen_ptr += nfragmult; + // } + // struct efp_atom *atoms = new struct efp_atom[nat]; + // check_fail(efp_get_frag_atoms(impl_->efp, i, nat, atoms)); + // for (size_t j = 0; j < nat; j++, iatom++) + // { + // vfm[iatom].k = 0; + // vfm[iatom].x = atoms[j].x; + // vfm[iatom].y = atoms[j].y; + // vfm[iatom].z = atoms[j].z; + // mom(iatom) = atoms[j].znuc; + // } + // delete[] atoms; + // } + // ai_screen_ptr = NULL; + // libqints::basis_1e1c_multipole bm(vfm); + // vfm = std::vector(); + // libaview::array_view av_vmul(vmul_atm.memptr(), vmul_atm.n_elem); + // libaview::array_view av_mom(mom.memptr(), mom.n_elem); + // libfock::vmul(aobasis.b1, bm, dev).compute(av_mom, av_vmul); + // } + - // charges - xyz_ptr = xyz_c; - for (size_t j1 = 0; j1 < n_charges; j1++, xyz_ptr += 3) { - double damp = ai_screen[j1]; - //that should only compute integrals for the first point - MakeFld(Z, xyz_ptr, LXmax, S2.code(), S2, 0.0); - - for (int i = 0; i < NB2; i++) { - V[i] -= Z[i] * z_c[j1]; - } + // Read and compute multipoles + arma::mat vmul_mult(nbsf, nbsf, arma::fill::zeros); + { + std::vector vfm(n_mult); + double *xyz_mult = new double[n_mult * 3]; + check_fail(efp_get_multipole_coordinates(impl_->efp, xyz_mult)); + double *mult = new double[n_mult * (1 + 3 + 6 + 10)]; + check_fail(efp_get_multipole_values(impl_->efp, mult)); // monopole and nuclear charges are summed up + arma::vec mom_mult(n_mult * 20); + for (size_t i = 0, imom = 0, ifm = 0; i < n_mult; i++, ifm++) + { + vfm[ifm].k = 3; + vfm[ifm].x = xyz_mult[3 * i + 0]; + vfm[ifm].y = xyz_mult[3 * i + 1]; + vfm[ifm].z = xyz_mult[3 * i + 2]; + double *c_mult = mult + i * 20; + size_t jj = 0; + for (size_t j = 0; j < 4; j++, jj++, imom++) // monopole and dipole + mom_mult(imom) = c_mult[jj]; + // quadrupole (different ordering in qints) + mom_mult(imom++) = c_mult[4]; // xx + mom_mult(imom++) = c_mult[7]; // xy + mom_mult(imom++) = c_mult[8]; // xz + mom_mult(imom++) = c_mult[5]; // yy + mom_mult(imom++) = c_mult[9]; // yz + mom_mult(imom++) = c_mult[6]; // zz + // octupole (different ordering in qints) + mom_mult(imom++) = c_mult[10]; // xxx + mom_mult(imom++) = c_mult[13]; // xxy + mom_mult(imom++) = c_mult[14]; // xxz + mom_mult(imom++) = c_mult[15]; // xyy + mom_mult(imom++) = c_mult[19]; // xyz + mom_mult(imom++) = c_mult[17]; // xzz + mom_mult(imom++) = c_mult[11]; // yyy + mom_mult(imom++) = c_mult[16]; // yyz + mom_mult(imom++) = c_mult[18]; // yzz + mom_mult(imom++) = c_mult[12]; // zzz - if (damp > 1.0e-6) { - MakeFld(Z, xyz_ptr, LXmax, S2.code(), S2, damp); - for (int i = 0; i < NB2; i++) { - V[i] += Z[i] * z_c[j1]; + if (rem_read(REM_EFP_QM_ELEC_DAMP) != 0) + { + mono_coord(0, i) = vfm[ifm].x; + mono_coord(1, i) = vfm[ifm].y; + mono_coord(2, i) = vfm[ifm].z; } } + delete[] mult; + delete[] xyz_mult; + libqints::basis_1e1c_multipole bm(vfm); + vfm = std::vector(); + libaview::array_view av_vmul(vmul_mult.memptr(), vmul_mult.n_elem); + libaview::array_view av_mom(mom_mult.memptr(), mom_mult.n_elem); + libfock::vmul(aobasis.b1, bm, dev).compute(av_mom, av_vmul); } - QFree(Z); - // dipoles, quadrupoles, octupoles - LXmax = 3; - Kmax = LFuncC(0, LXmax); - Z = QAllocDouble(Kmax * NB2car); - - //find quadrupoles indices in Z array - int nxx, nyy, nzz, nxy, nxz, nyz; - KonL2K(&nxx, 2, 0, 0); - KonL2K(&nyy, 0, 2, 0); - KonL2K(&nzz, 0, 0, 2); - KonL2K(&nxy, 1, 1, 0); - KonL2K(&nxz, 1, 0, 1); - KonL2K(&nyz, 0, 1, 1); - nxx--; nyy--; nzz--; nxy--; nxz--; nyz--; + // Call vmul + arma::mat vmul = vmul_mult; + libqints::gto::reorder_cc(vmul, aobasis.b1, true, true, libqints::gto::lex, libqints::gto::korder); + threading_policy::pop(); - //find ocupole indices in Z array - int nxxx, nyyy, nzzz, nxxy, nxxz, nxyy, nyyz, nxzz, nyzz, nxyz; - KonL2K(&nxxx, 3, 0, 0); - KonL2K(&nyyy, 0, 3, 0); - KonL2K(&nzzz, 0, 0, 3); - KonL2K(&nxxy, 2, 1, 0); - KonL2K(&nxxz, 2, 0, 1); - KonL2K(&nxyy, 1, 2, 0); - KonL2K(&nyyz, 0, 2, 1); - KonL2K(&nxzz, 1, 0, 2); - KonL2K(&nyzz, 0, 1, 2); - KonL2K(&nxyz, 1, 1, 1); - nxxx--;nyyy--;nzzz--;nxxy--;nxxz--; - nxyy--;nyyz--;nxzz--;nyzz--;nxyz--; + // Pack + INTEGER NB2 = rem_read(REM_NB2); + ShlPrs S2(code); + INTEGER NB2car = S2.getNB2car(); + arma::vec pkd_vmul(NB2car, arma::fill::zeros); + ScaV2M(vmul.memptr(), pkd_vmul.memptr(), 1, 0); - z_ptr = mult, xyz_ptr = xyz_mult; - for (size_t i1 = 0; i1 < n_mult; i1++, z_ptr += 20, xyz_ptr += 3) { - //that should only compute integrals for the first point - MakeFld(Z, xyz_ptr, LXmax, S2.code(), S2, 0); - for (int i = 0; i < NB2; i++) { - //dipole - V[i] -= Z[i+1*NB2car]*z_ptr[1] + - Z[i+2*NB2car]*z_ptr[2] + - Z[i+3*NB2car]*z_ptr[3]; - //quadrupole - V[i] -= ( Z[i+nxx*NB2car]*z_ptr[4] - + Z[i+nyy*NB2car]*z_ptr[5] - + Z[i+nzz*NB2car]*z_ptr[6] - + 2*Z[i+nxy*NB2car]*z_ptr[7] - + 2*Z[i+nxz*NB2car]*z_ptr[8] - + 2*Z[i+nyz*NB2car]*z_ptr[9]) / 3.0; - //octupole - V[i] -= ( Z[i+nxxx*NB2car]*z_ptr[10] - + Z[i+nyyy*NB2car]*z_ptr[11] - + Z[i+nzzz*NB2car]*z_ptr[12] - + 3*Z[i+nxxy*NB2car]*z_ptr[13] - + 3*Z[i+nxxz*NB2car]*z_ptr[14] - + 3*Z[i+nxyy*NB2car]*z_ptr[15] - + 3*Z[i+nyyz*NB2car]*z_ptr[16] - + 3*Z[i+nxzz*NB2car]*z_ptr[17] - + 3*Z[i+nyzz*NB2car]*z_ptr[18] - + 6*Z[i+nxyz*NB2car]*z_ptr[19]) / 15.0; + if (rem_read(REM_EFP_QM_ELEC_DAMP) != 0) + { + check_fail(efp_get_mono_values(impl_->efp, mono.memptr())); + check_fail(efp_get_all_ai_screen(impl_->efp, mono_screen.memptr())); + arma::vec Z(NB2car, arma::fill::zeros); + double *xyz_ptr = mono_coord.memptr(); + for (size_t j1 = 0; j1 < mono_screen.n_elem; j1++, xyz_ptr += 3) { + double damp = mono_screen(j1); + if (damp > 1.0e-6 && damp < 10.0) { + MakeFld(Z.memptr(), xyz_ptr, 0, S2.code(), S2, damp); + for (int i = 0; i < NB2; i++) { + pkd_vmul(i) += Z(i) * mono(j1); + } + } } + xyz_ptr = NULL; } - VRadd(h, h, V, NB2); - QFree(V); - QFree(Z); + VRadd(h , h, pkd_vmul.memptr(), NB2); - delete[] mult; - delete[] xyz_mult; - delete[] z_c; - delete[] xyz_c; - delete[] ai_screen; + QTimerOff(TimeForMultInt,Timer); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP multipole integrals with libqints: %.1f s (CPU) %.1f s (wall)\n",TimeForMultInt[0],TimeForMultInt[2]); } */ -void EFP2::update_mult_ints(double *h, INTEGER code) +void EFP2::update_mult_qints(double *h, INTEGER code) { - impl_->user_data.code = code; // save code value for future use - if (rem_read(REM_EFP_FRAGMENTS_ONLY) || rem_read(REM_EFP_QM_ELEC) == 0 || rem_read(REM_EFP_ORDER) != 2) - return; - printf(" Compute multipole integrals in update_mult_ints_new() \n"); + threading_policy::enable_omp_only(); + libqints::dev_omp dev; + dev.init(1024); + dev.memory = (size_t)(rem_read(REM_MEM_TOTAL)) * 1024 * 1024 / dev.nthreads; + + qtime_t Timer = QTimerOn(); + double TimeForMultInt[3]; + + // Get sizes of all objects and initialize + size_t nbsf = aobasis.b1.get_nbsf(); + size_t n_ho_mult = 0, n_mm_mult = 0; + check_fail(efp_get_ho_multipole_count(impl_->efp, &n_ho_mult)); + check_fail(efp_get_mm_multipole_count(impl_->efp, &n_mm_mult)); + + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP is going to compute %zu high-order multipole integrals and %zu charge integrals with libqints\n", + n_ho_mult, n_mm_mult); + + arma::vec mono; // monopole (used when damping is required) + arma::vec mono_screen; // damping parameters for all monopole + arma::mat mono_coord; // Cartesian coordinate of all monopole + if (rem_read(REM_EFP_QM_ELEC_DAMP) != 0 && n_ho_mult > 0) + { + mono.set_size(n_ho_mult); + mono_screen.set_size(n_ho_mult); + mono_coord.set_size(3, n_ho_mult); + } + + // Read and compute higher_order multipoles + arma::mat vmul_mult(nbsf, nbsf, arma::fill::zeros); + do { + if (n_ho_mult == 0) break; + + qtime_t TimerMult = QTimerOn(); + double TimeForMult[3]; + + std::vector vfm(n_ho_mult); + double *xyz_mult = new double[n_ho_mult * 3]; + check_fail(efp_get_ho_multipole_coordinates(impl_->efp, xyz_mult)); + double *mult = new double[n_ho_mult * (1 + 3 + 6 + 10)]; + check_fail(efp_get_ho_multipole_values(impl_->efp, mult)); // monopole and nuclear charges are summed up + arma::vec mom_mult(n_ho_mult * 20); + for (size_t i = 0, imom = 0, ifm = 0; i < n_ho_mult; i++, ifm++) + { + vfm[ifm].k = 3; + vfm[ifm].x = xyz_mult[3 * i + 0]; + vfm[ifm].y = xyz_mult[3 * i + 1]; + vfm[ifm].z = xyz_mult[3 * i + 2]; + double *c_mult = mult + i * 20; + size_t jj = 0; + for (size_t j = 0; j < 4; j++, jj++, imom++) // monopole and dipole + mom_mult(imom) = c_mult[jj]; + // quadrupole (different ordering in qints) + mom_mult(imom++) = c_mult[4]; // xx + mom_mult(imom++) = c_mult[7]; // xy + mom_mult(imom++) = c_mult[8]; // xz + mom_mult(imom++) = c_mult[5]; // yy + mom_mult(imom++) = c_mult[9]; // yz + mom_mult(imom++) = c_mult[6]; // zz + // octupole (different ordering in qints) + mom_mult(imom++) = c_mult[10]; // xxx + mom_mult(imom++) = c_mult[13]; // xxy + mom_mult(imom++) = c_mult[14]; // xxz + mom_mult(imom++) = c_mult[15]; // xyy + mom_mult(imom++) = c_mult[19]; // xyz + mom_mult(imom++) = c_mult[17]; // xzz + mom_mult(imom++) = c_mult[11]; // yyy + mom_mult(imom++) = c_mult[16]; // yyz + mom_mult(imom++) = c_mult[18]; // yzz + mom_mult(imom++) = c_mult[12]; // zzz + + if (rem_read(REM_EFP_QM_ELEC_DAMP) != 0) + { + mono_coord(0, i) = vfm[ifm].x; + mono_coord(1, i) = vfm[ifm].y; + mono_coord(2, i) = vfm[ifm].z; + } + } + delete[] mult; + delete[] xyz_mult; + libqints::basis_1e1c_multipole bm(vfm); + vfm = std::vector(); + libaview::array_view av_vmul(vmul_mult.memptr(), vmul_mult.n_elem); + libaview::array_view av_mom(mom_mult.memptr(), mom_mult.n_elem); + libfock::vmul(aobasis.b1, bm, dev).compute(av_mom, av_vmul); + + QTimerOff(TimeForMult,TimerMult); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP multipole integrals with libqints: %.1f s (CPU) %.1f s (wall)\n",TimeForMult[0],TimeForMult[2]); + + } while (0); + + + // Read and compute simple moonopoles + arma::mat vmul_mm(nbsf, nbsf, arma::fill::zeros); + do { + if (n_mm_mult == 0) break; + + qtime_t TimerMM = QTimerOn(); + double TimeForMM[3]; + + std::vector vfm(n_mm_mult); + + double *xyz_mult = new double[n_mm_mult * 3]; + check_fail(efp_get_mm_multipole_coordinates(impl_->efp, xyz_mult)); + double *mult = new double[n_mm_mult]; + check_fail(efp_get_mm_multipole_values(impl_->efp, mult)); // monopole and nuclear charges are summed up + arma::vec mom_mult(n_mm_mult); + + for (size_t i = 0; i < n_mm_mult; i++) + { + vfm[i].k = 0; + vfm[i].x = xyz_mult[3 * i + 0]; + vfm[i].y = xyz_mult[3 * i + 1]; + vfm[i].z = xyz_mult[3 * i + 2]; + mom_mult(i) = mult[i]; + } + + delete[] mult; + delete[] xyz_mult; + libqints::basis_1e1c_multipole bm(vfm); + vfm = std::vector(); + libaview::array_view av_vmul(vmul_mm.memptr(), vmul_mm.n_elem); + libaview::array_view av_mom(mom_mult.memptr(), mom_mult.n_elem); + libfock::vmul(aobasis.b1, bm, dev).compute(av_mom, av_vmul); + + QTimerOff(TimeForMM,TimerMM); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP charge integrals with libqints: %.1f s (CPU) %.1f s (wall)\n",TimeForMM[0],TimeForMM[2]); + + } while (0); + + // Call vmul + arma::mat vmul = vmul_mult + vmul_mm; + libqints::gto::reorder_cc(vmul, aobasis.b1, true, true, libqints::gto::lex, libqints::gto::korder); + threading_policy::pop(); + + qtime_t TimerDamp = QTimerOn(); + double TimeForDamp[3]; + + // Pack INTEGER NB2 = rem_read(REM_NB2); + ShlPrs S2(code); + INTEGER NB2car = S2.getNB2car(); + arma::vec pkd_vmul(NB2car, arma::fill::zeros); + ScaV2M(vmul.memptr(), pkd_vmul.memptr(), 1, 0); + + if (rem_read(REM_EFP_QM_ELEC_DAMP) != 0) + { + check_fail(efp_get_ho_mono_values(impl_->efp, mono.memptr())); + check_fail(efp_get_ho_ai_screen(impl_->efp, mono_screen.memptr())); + arma::vec Z(NB2car, arma::fill::zeros); + double *xyz_ptr = mono_coord.memptr(); + for (size_t j1 = 0; j1 < mono_screen.n_elem; j1++, xyz_ptr += 3) { + double damp = mono_screen(j1); + if (damp > 1.0e-6 && damp < 10.0) { + MakeFld(Z.memptr(), xyz_ptr, 0, S2.code(), S2, damp); + for (int i = 0; i < NB2; i++) { + pkd_vmul(i) += Z(i) * mono(j1); + } + } + } + xyz_ptr = NULL; + } + + VRadd(h , h, pkd_vmul.memptr(), NB2); + + QTimerOff(TimeForDamp,TimerDamp); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP charge damping integrals with MakeFld: %.1f s (CPU) %.1f s (wall)\n",TimeForDamp[0],TimeForDamp[2]); + + QTimerOff(TimeForMultInt,Timer); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" Total EFP electrostatic integrals: %.1f s (CPU) %.1f s (wall)\n",TimeForMultInt[0],TimeForMultInt[2]); +} + +void EFP2::update_mm_qints(double *h, INTEGER code) +{ + threading_policy::enable_omp_only(); + libqints::dev_omp dev; + dev.init(1024); + dev.memory = (size_t)(rem_read(REM_MEM_TOTAL)) * 1024 * 1024 / dev.nthreads; + + qtime_t Timer = QTimerOn(); + double TimeForMMInt[3]; + + // Get sizes of all objects and initialize + size_t nbsf = aobasis.b1.get_nbsf(); + + size_t n_frag = 0; + check_fail(efp_get_frag_count(impl_->efp, &n_frag)); + + size_t n_atom = 0; + for (size_t i = 0; i < n_frag; i++) { + // skip interactions with QM fragment + if (rem_read(REM_EFP_QM_FRAGMENT) == i) continue; + size_t nat; + check_fail(efp_get_frag_atom_count(impl_->efp, i, &nat)); + n_atom += nat; + } + + // Read and compute atoms + arma::mat vmul_atm(nbsf, nbsf, arma::fill::zeros); + { + std::vector vfm(n_atom); + arma::vec mom(n_atom); + for (size_t i = 0, iatom = 0; i < n_frag; i++) + { + // skip interactions with QM fragment + if (rem_read(REM_EFP_QM_FRAGMENT) == i) continue; + size_t nat; + check_fail(efp_get_frag_atom_count(impl_->efp, i, &nat)); + struct efp_atom *atoms = new struct efp_atom[nat]; + check_fail(efp_get_frag_atoms(impl_->efp, i, nat, atoms)); + for (size_t j = 0; j < nat; j++, iatom++) + { + vfm[iatom].k = 0; + vfm[iatom].x = atoms[j].x; + vfm[iatom].y = atoms[j].y; + vfm[iatom].z = atoms[j].z; + mom(iatom) = atoms[j].mm_charge; + } + delete[] atoms; + } + libqints::basis_1e1c_multipole bm(vfm); + vfm = std::vector(); + libaview::array_view av_vmul(vmul_atm.memptr(), vmul_atm.n_elem); + libaview::array_view av_mom(mom.memptr(), mom.n_elem); + libfock::vmul(aobasis.b1, bm, dev).compute(av_mom, av_vmul); + } + + // Call vmul + arma::mat vmul = vmul_atm; + libqints::gto::reorder_cc(vmul, aobasis.b1, true, true, libqints::gto::lex, libqints::gto::korder); + threading_policy::pop(); + + // Pack + INTEGER NB2 = rem_read(REM_NB2); + ShlPrs S2(code); + INTEGER NB2car = S2.getNB2car(); + arma::vec pkd_vmul(NB2car, arma::fill::zeros); + ScaV2M(vmul.memptr(), pkd_vmul.memptr(), 1, 0); + + VRadd(h , h, pkd_vmul.memptr(), NB2); + + QTimerOff(TimeForMMInt,Timer); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP MM integrals with libqints: %.1f s (CPU) %.1f s (wall)\n",TimeForMMInt[0],TimeForMMInt[2]); +} + +void EFP2::update_mult_ints(double *h, INTEGER code) +{ + impl_->code = code; // save code value for future use + if (rem_read(REM_EFP_FRAGMENTS_ONLY) || rem_read(REM_EFP_ORDER) != 2) + return; + // mechanical embedding + if (rem_read(REM_EFP_QMMM) == 1) + return; + // electrostatic embedding - might continue + bool do_qmmm = rem_read(REM_EFP_QMMM) == 2 || rem_read(REM_EFP_QMMM) == 3; + if (rem_read(REM_EFP_QM_ELEC) == 0 && !do_qmmm) + return; + + INTEGER NB2 = rem_read(REM_NB2); + + +threading_policy::enable_omp_only(); +libqints::dev_omp dev; +dev.init(1024); +threading_policy::pop(); +// if (( rem_read(REM_USE_LIBQINTS) != 0 && dev.nthreads > 1) || (rem_read(REM_USE_LIBQINTS) > 0)) + if ( dev.nthreads > 1 ) // always use libqints in parallel jobs + { + if (do_qmmm) + update_mm_qints(h, code); + else + update_mult_qints(h, code); + return; + } + + qtime_t Timer = QTimerOn(); + double TimeForMultInt[3]; + + //printf("\n Compute EFP multipole integrals with MakeFld\n"); + ShlPrs S2(code); + double *V, *Z0, *Z; + INTEGER K0, Kmax; + INTEGER NB2car = S2.getNB2car(); + + size_t n_frag; + check_fail(efp_get_frag_count(impl_->efp, &n_frag)); + + // electrostatic QM/MM embedding + if (do_qmmm) { + + V = QAllocDouble(NB2car > NB2 ? NB2car : NB2); + VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); + + // storage for rank=0 (charge) integrals + K0 = LFuncC(0, 0); + Z0 = QAllocDouble(K0 * NB2car); + + for (size_t fr_i = 0; fr_i < n_frag; fr_i++) { + + // skip interactions with QM fragment + if (rem_read(REM_EFP_QM_FRAGMENT) == fr_i) continue; + + size_t n_atom; + check_fail(efp_get_frag_atom_count(impl_->efp, fr_i, &n_atom)); + + struct efp_atom *atoms = new struct efp_atom[n_atom]; + check_fail(efp_get_frag_atoms(impl_->efp, fr_i, n_atom, atoms)); + + for (size_t j = 0; j < n_atom; j++) { + double xyz[3] = {atoms[j].x, atoms[j].y, atoms[j].z}; + double qi = atoms[j].mm_charge; + + // no screening + MakeFld(Z0, xyz, 0, S2.code(), S2, 0); + for (int i = 0; i < NB2; i++) { + // charge-monopole + V[i] -= Z0[i] * qi; + } + } + delete[] atoms; + } + VRadd(h, h, V, NB2); + QFree(Z0); + QFree(V); + } + + // normal EFP multipole integrals + else { + + // work with multipoles - normal EFP stuff + //find quadrupoles indices in Z array + int nxx, nyy, nzz, nxy, nxz, nyz; + KonL2K(&nxx, 2, 0, 0); + KonL2K(&nyy, 0, 2, 0); + KonL2K(&nzz, 0, 0, 2); + KonL2K(&nxy, 1, 1, 0); + KonL2K(&nxz, 1, 0, 1); + KonL2K(&nyz, 0, 1, 1); + nxx--; + nyy--; + nzz--; + nxy--; + nxz--; + nyz--; + + //find ocupole indices in Z array + int nxxx, nyyy, nzzz, nxxy, nxxz, nxyy, nyyz, nxzz, nyzz, nxyz; + KonL2K(&nxxx, 3, 0, 0); + KonL2K(&nyyy, 0, 3, 0); + KonL2K(&nzzz, 0, 0, 3); + KonL2K(&nxxy, 2, 1, 0); + KonL2K(&nxxz, 2, 0, 1); + KonL2K(&nxyy, 1, 2, 0); + KonL2K(&nyyz, 0, 2, 1); + KonL2K(&nxzz, 1, 0, 2); + KonL2K(&nyzz, 0, 1, 2); + KonL2K(&nxyz, 1, 1, 1); + nxxx--; + nyyy--; + nzzz--; + nxxy--; + nxxz--; + nxyy--; + nyyz--; + nxzz--; + nyzz--; + nxyz--; + + V = QAllocDouble(NB2car > NB2 ? NB2car : NB2); + VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); + + // assuming octopoles are the highest rank + Kmax = LFuncC(0, 3); + Z = QAllocDouble(Kmax * NB2car); + + // storage for rank=0 (charge) integrals + K0 = LFuncC(0, 0); + Z0 = QAllocDouble(K0 * NB2car); + + for (size_t fr_i = 0; fr_i < n_frag; fr_i++) { + + size_t n_pt; + check_fail(efp_get_frag_multipole_count(impl_->efp, fr_i, &n_pt)); + + // compute integrals based on the highest rank of multipoles in fragment: + // 0 - charge, 1 - dipole, 2 - quad, 3 - oct + int rank; + check_fail(efp_get_frag_rank(impl_->efp, fr_i, &rank)); + if (rank < 0) continue; + if (rank > 3) QCrash("EFP fragment with multipoles higher than octopoles detected! Exit."); + + + for (size_t j = 0; j < n_pt; j++) { + + struct efp_mult_pt *pt; + pt = (struct efp_mult_pt *) malloc(sizeof(struct efp_mult_pt)); + check_fail(efp_get_frag_mult_pt(impl_->efp, fr_i, j, pt)); + + double xyz[3] = {pt->x, pt->y, pt->z}; + + double qi; + qi = pt->znuc + pt->monopole; + + //printf(" Point %d on fragment %d\n", j, fr_i); + //print_efp_mult_pt(pt); + + // all multipoles - no screening + MakeFld(Z, xyz, rank, S2.code(), S2, 0); + + for (int i = 0; i < NB2; i++) { + // charge-monopole + V[i] -= Z[i] * qi; + + //dipole + if (rank > 0) + V[i] -= Z[i + 1 * NB2car] * pt->dipole[0] + + Z[i + 2 * NB2car] * pt->dipole[1] + + Z[i + 3 * NB2car] * pt->dipole[2]; + //quadrupole + if (rank > 1) + V[i] -= (Z[i + nxx * NB2car] * pt->quadrupole[0] + + Z[i + nyy * NB2car] * pt->quadrupole[1] + + Z[i + nzz * NB2car] * pt->quadrupole[2] + + 2 * Z[i + nxy * NB2car] * pt->quadrupole[3] + + 2 * Z[i + nxz * NB2car] * pt->quadrupole[4] + + 2 * Z[i + nyz * NB2car] * pt->quadrupole[5]) / 3.0; + //octupole + if (rank > 2) + V[i] -= (Z[i + nxxx * NB2car] * pt->octupole[0] + + Z[i + nyyy * NB2car] * pt->octupole[1] + + Z[i + nzzz * NB2car] * pt->octupole[2] + + 3 * Z[i + nxxy * NB2car] * pt->octupole[3] + + 3 * Z[i + nxxz * NB2car] * pt->octupole[4] + + 3 * Z[i + nxyy * NB2car] * pt->octupole[5] + + 3 * Z[i + nyyz * NB2car] * pt->octupole[6] + + 3 * Z[i + nxzz * NB2car] * pt->octupole[7] + + 3 * Z[i + nyzz * NB2car] * pt->octupole[8] + + 6 * Z[i + nxyz * NB2car] * pt->octupole[9]) / 15.0; + } + + // second call for integrals - taking care of screened monopoles + if (pt->if_screen) { + double screen = pt->screen0; + double q_mon = pt->monopole; + if (screen > 1.0e-6 && screen < 10.0) { + MakeFld(Z0, xyz, 0, S2.code(), S2, screen); + for (int i = 0; i < NB2; i++) { + // charge-monopole + V[i] += Z0[i] * q_mon; + } + } + } + + free(pt); + } + } + QFree(Z); + QFree(Z0); + VRadd(h, h, V, NB2); + QFree(V); + } + + QTimerOff(TimeForMultInt,Timer); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP multipole integrals with AOints: %.1f s (CPU) %.1f s (wall)\n",TimeForMultInt[0],TimeForMultInt[2]); +} + + +/* +void EFP2::update_mult_ints_OLD(double *h, INTEGER code) +{ + impl_->code = code; // save code value for future use + if (rem_read(REM_EFP_FRAGMENTS_ONLY) || rem_read(REM_EFP_QM_ELEC) == 0 || rem_read(REM_EFP_ORDER) != 2) + return; + + printf("\n Compute EFP multipole integrals \n"); + + INTEGER NB2 = rem_read(REM_NB2); + +//threading_policy::enable_omp_only(); +//libqints::dev_omp dev; +//dev.init(1024); +//threading_policy::pop(); + +//if (( rem_read(REM_USE_LIBQINTS) != 0 && dev.nthreads > 1) || (rem_read(REM_USE_LIBQINTS) > 0)) +//{ +// update_mult_qints(h, code); +// return; +//} ShlPrs S2(code); double *V, *Z0, *Z; @@ -1075,37 +1750,38 @@ void EFP2::update_mult_ints(double *h, INTEGER code) size_t n_frag; check_fail(efp_get_frag_count(impl_->efp, &n_frag)); - for (size_t i = 0; i < n_frag; i++) { + for (size_t fr_i = 0; fr_i < n_frag; fr_i++) { size_t n_pt; - check_fail(efp_get_frag_multipole_count(impl_->efp, i, &n_pt)); + check_fail(efp_get_frag_multipole_count(impl_->efp, fr_i, &n_pt)); // compute integrals based on the highest rank of multipoles in fragment: // 0 - charge, 1 - dipole, 2 - quad, 3 - oct size_t rank; - check_fail(efp_get_frag_rank(impl_->efp, i, &rank)); + check_fail(efp_get_frag_rank(impl_->efp, fr_i, &rank)); Kmax = LFuncC(0, rank); + Z = QAllocDouble(Kmax * NB2car); for (size_t j = 0; j < n_pt; j++) { struct efp_mult_pt *pt; - check_fail(efp_get_frag_mult_pt(impl_->efp, i, j, pt)); + pt = (struct efp_mult_pt *)malloc(sizeof(struct efp_mult_pt)); + check_fail(efp_get_frag_mult_pt(impl_->efp, fr_i, j, pt)); double xyz[3] = {pt->x, pt->y, pt->z}; double qi; - // compute integrals with screened monopoles separately - if (pt->if_screen0) - qi = pt->znuc; - else - qi = pt->znuc + pt->monopole; + qi = pt->znuc + pt->monopole; + + //printf(" Point %d on fragment %d\n", j, fr_i); + //print_efp_mult_pt(pt); // all multipoles - no screening MakeFld(Z, xyz, rank, S2.code(), S2, 0); for (int i = 0; i < NB2; i++) { // charge-monopole - V[i] += Z[i] * qi; + V[i] -= Z[i] * qi; //dipole if (rank > 0) V[i] -= Z[i + 1 * NB2car] * pt->dipole[0] + @@ -1134,17 +1810,19 @@ void EFP2::update_mult_ints(double *h, INTEGER code) } // second call for integrals - taking care of screened monopoles - if (pt->if_screen0) { + if (pt->if_screen) { double screen = pt->screen0; double q_mon = pt->monopole; - MakeFld(Z, xyz, 0, S2.code(), S2, screen); + MakeFld(Z0, xyz, 0, S2.code(), S2, screen); for (int i = 0; i < NB2; i++) { // charge-monopole - V[i] += Z[i] * q_mon; + V[i] += Z0[i] * q_mon; } } + + free(pt); } QFree(Z); } @@ -1153,347 +1831,148 @@ void EFP2::update_mult_ints(double *h, INTEGER code) QFree(Z0); QFree(V); } +*/ +#include +#include +#include +#include +#include +#include +using libqints::qchem::aobasis; -void EFP2::update_pol_ints(double *h, INTEGER code) +void EFP2::update_pol_qints(double *h, INTEGER code) { - impl_->user_data.code = code; - - if (rem_read(REM_EFP_FRAGMENTS_ONLY) || rem_read(REM_EFP_QM_ELEC) == 0 || rem_read(REM_EFP_ORDER) != 2) - return; - printf("Compute polarization integrals \n"); - INTEGER NB2 = rem_read(REM_NB2); - - /* threading_policy::enable_omp_only(); libqints::dev_omp dev; dev.init(1024); - threading_policy::pop(); - - if ((rem_read(REM_USE_LIBQINTS) != 0 && dev.nthreads > 1) || (rem_read(REM_USE_LIBQINTS) > 0)) // && rem_read(REM_EFP_PAIRWISE) == 0) - { - update_wf_qints(h, code); - return; - } -*/ - size_t n_frag; - check_fail(efp_get_frag_count(impl_->efp, &n_frag)); + dev.memory = (size_t)(rem_read(REM_MEM_TOTAL)) * 1024 * 1024 / dev.nthreads; - ShlPrs S2(code); - double *V, *Z; - INTEGER Kmax; - INTEGER NB2car = S2.getNB2car(); - V = QAllocDouble(NB2car > NB2 ? NB2car : NB2); - VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); + qtime_t Timer = QTimerOn(); + double TimeForPolInt[3]; - // induced dipoles - size_t n_id; + // Get sizes of all objects and initialize + size_t nbsf = aobasis.b1.get_nbsf(); + size_t n_id = 0; check_fail(efp_get_induced_dipole_count(impl_->efp, &n_id)); - double *xyz_id = new double[n_id * 3]; - check_fail(efp_get_induced_dipole_coordinates(impl_->efp, xyz_id)); - double *id = new double[n_id * 3]; - check_fail(efp_get_induced_dipole_values(impl_->efp, id)); - double *idt = new double[n_id * 3]; - check_fail(efp_get_induced_dipole_conj_values(impl_->efp, idt)); - - Kmax = LFuncC(0, 1); - Z = QAllocDouble(Kmax * NB2car); - double *xyz_ptr; - xyz_ptr = xyz_id; - for (size_t j1 = 0; j1 < n_id; j1++, xyz_ptr += 3) { - //that should only compute integrals for the first point - MakeFld(Z, xyz_ptr, 1, S2.code(), S2, 0); - for (int i = 0; i < NB2; i++) { - //dipole - V[i] -= 0.5 * (Z[i+1*NB2car] * (id[j1 * 3 + 0] + - idt[j1 * 3 + 0]) + - Z[i+2*NB2car] * (id[j1 * 3 + 1] + - idt[j1 * 3 + 1]) + - Z[i+3*NB2car] * (id[j1 * 3 + 2] + - idt[j1 * 3 + 2])); + // Read and compute induced dipoles + arma::mat vmul_id(nbsf, nbsf, arma::fill::zeros); + { + std::vector vfm(n_id); + double *xyz_id = new double[n_id * 3]; + check_fail(efp_get_induced_dipole_coordinates(impl_->efp, xyz_id)); + double *id = new double[n_id * 3]; + check_fail(efp_get_induced_dipole_values(impl_->efp, id)); + double *idt = new double[n_id * 3]; + check_fail(efp_get_induced_dipole_conj_values(impl_->efp, idt)); + arma::vec mom(n_id * 4); + for (size_t i = 0, ifm = 0, imom = 0; i < n_id; i++, ifm++) + { + vfm[ifm].k = 1; + vfm[ifm].x = xyz_id[3 * i + 0]; + vfm[ifm].y = xyz_id[3 * i + 1]; + vfm[ifm].z = xyz_id[3 * i + 2]; + mom(imom++) = 0.0; // Zero charges + for (size_t j = 0, jj = i * 3; j < 3; j++, imom++, jj++) + mom(imom) = (id[jj] + idt[jj]) * 0.5; } + delete[] id; + delete[] idt; + delete[] xyz_id; + libqints::basis_1e1c_multipole bm(vfm); + vfm = std::vector(); + libaview::array_view av_vmul(vmul_id.memptr(), vmul_id.n_elem); + libaview::array_view av_mom(mom.memptr(), mom.n_elem); + libfock::vmul(aobasis.b1, bm, dev).compute(av_mom, av_vmul); } - VRadd(h, h, V, NB2); - - QFree(V); - QFree(Z); - delete[] id; - delete[] idt; - delete[] xyz_id; -} - -/* -void EFP2::update_pol_ints(double *h, INTEGER code) -{ - impl_->user_data.code = code; - if (rem_read(REM_EFP_FRAGMENTS_ONLY) || rem_read(REM_EFP_QM_ELEC) == 0 || rem_read(REM_EFP_ORDER) != 2) - return; - printf("Compute polarization integrals \n"); - INTEGER NB2 = rem_read(REM_NB2); - - threading_policy::enable_omp_only(); - libqints::dev_omp dev; - dev.init(1024); + // Call vmul + arma::mat vmul = vmul_id; + libqints::gto::reorder_cc(vmul, aobasis.b1, true, true, libqints::gto::lex, libqints::gto::korder); threading_policy::pop(); - if ((rem_read(REM_USE_LIBQINTS) != 0 && dev.nthreads > 1) || (rem_read(REM_USE_LIBQINTS) > 0)) // && rem_read(REM_EFP_PAIRWISE) == 0) - { - update_wf_qints(h, code); - return; - } - - size_t n_frag; - check_fail(efp_get_frag_count(impl_->efp, &n_frag)); - + // Pack + INTEGER NB2 = rem_read(REM_NB2); ShlPrs S2(code); - double *V, *Z; - INTEGER LXmax, Kmax; INTEGER NB2car = S2.getNB2car(); - V = QAllocDouble(NB2car > NB2 ? NB2car : NB2); - VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); - - // induced dipoles - size_t n_id; - check_fail(efp_get_induced_dipole_count(impl_->efp, &n_id)); - double *xyz_id = new double[n_id * 3]; - check_fail(efp_get_induced_dipole_coordinates(impl_->efp, xyz_id)); - double *id = new double[n_id * 3]; - check_fail(efp_get_induced_dipole_values(impl_->efp, id)); - double *idt = new double[n_id * 3]; - check_fail(efp_get_induced_dipole_conj_values(impl_->efp, idt)); - - LXmax = 1; - Kmax = LFuncC(0, LXmax); - Z = QAllocDouble(Kmax * NB2car); + arma::vec pkd_vmul(NB2car, arma::fill::zeros); + ScaV2M(vmul.memptr(), pkd_vmul.memptr(), 1, 0); - double *xyz_ptr; - xyz_ptr = xyz_id; - for (size_t j1 = 0; j1 < n_id; j1++, xyz_ptr += 3) { - //that should only compute integrals for the first point - MakeFld(Z, xyz_ptr, LXmax, S2.code(), S2, 0); - for (int i = 0; i < NB2; i++) { - //dipole - V[i] -= 0.5 * (Z[i+1*NB2car] * (id[j1 * 3 + 0] + - idt[j1 * 3 + 0]) + - Z[i+2*NB2car] * (id[j1 * 3 + 1] + - idt[j1 * 3 + 1]) + - Z[i+3*NB2car] * (id[j1 * 3 + 2] + - idt[j1 * 3 + 2])); - } - } - VRadd(h, h, V, NB2); + VRadd(h , h, pkd_vmul.memptr(), NB2); - QFree(V); - QFree(Z); - delete[] id; - delete[] idt; - delete[] xyz_id; + QTimerOff(TimeForPolInt,Timer); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP polarization integrals with libqints: %.1f s (CPU) %.1f s (wall)\n",TimeForPolInt[0],TimeForPolInt[2]); } -*/ -/* -void EFP2::update_wf(double *h, INTEGER code) -{ - impl_->user_data.code = code; - if (rem_read(REM_EFP_FRAGMENTS_ONLY) || rem_read(REM_EFP_QM_ELEC) == 0 || rem_read(REM_EFP_ORDER) != 2) - return; - printf("\n In update_wf() \n"); - threading_policy::enable_omp_only(); - libqints::dev_omp dev; - dev.init(1024); - threading_policy::pop(); - INTEGER NB2 = rem_read(REM_NB2); +void EFP2::update_pol_ints(double *h, INTEGER code) +{ + impl_->code = code; - if ((rem_read(REM_USE_LIBQINTS) != 0 && dev.nthreads > 1) || (rem_read(REM_USE_LIBQINTS) > 0)) // && rem_read(REM_EFP_PAIRWISE) == 0) - { - update_wf_qints(h, code); + if (rem_read(REM_EFP_FRAGMENTS_ONLY) || rem_read(REM_EFP_QM_POL) == 0 || rem_read(REM_EFP_ORDER) != 2) return; - } - - size_t n_mult; - check_fail(efp_get_multipole_count(impl_->efp, &n_mult)); - double *xyz_mult = new double[n_mult * 3]; - check_fail(efp_get_multipole_coordinates(impl_->efp, xyz_mult)); - double *mult = new double[n_mult * (1 + 3 + 6 + 10)]; - check_fail(efp_get_multipole_values(impl_->efp, mult)); - - size_t n_frag; - check_fail(efp_get_frag_count(impl_->efp, &n_frag)); - - size_t n_atoms = 0; - for (size_t i = 0; i < n_frag; i++) { - size_t nat; - check_fail(efp_get_frag_atom_count(impl_->efp, i, &nat)); - n_atoms += nat; - } - - double *z_ptr, *xyz_ptr, *ai_screen_ptr, *ai_screen_ptr2; - - INTEGER n_charges = n_atoms + n_mult; - double *z_c = new double[n_charges]; - double *xyz_c = new double[3 * n_charges]; - double *ai_screen = new double[n_charges]; - - memset(ai_screen, 0, n_charges * sizeof(double)); - - for (size_t i = 0; i < n_mult; i++) { - z_c[i] = mult[i * 20]; - xyz_c[3 * i + 0] = xyz_mult[3 * i + 0]; - xyz_c[3 * i + 1] = xyz_mult[3 * i + 1]; - xyz_c[3 * i + 2] = xyz_mult[3 * i + 2]; - } - - z_ptr = z_c + n_mult; - xyz_ptr = xyz_c + n_mult * 3; - ai_screen_ptr = ai_screen; - ai_screen_ptr2 = ai_screen + n_mult; - - for (size_t i = 0; i < n_frag; i++) { - size_t nat, nfragmult; - check_fail(efp_get_frag_atom_count(impl_->efp, i, &nat)); - struct efp_atom *atoms = new struct efp_atom[nat]; - check_fail(efp_get_frag_atoms(impl_->efp, i, nat, atoms)); + // mechanical or electrostatic embedding QM/MM + bool do_qmmm = rem_read(REM_EFP_QMMM) == 1 || rem_read(REM_EFP_QMMM) == 2 || rem_read(REM_EFP_QMMM) == 3; + if (do_qmmm) + return; - check_fail(efp_get_frag_multipole_count(impl_->efp, i, - &nfragmult)); - if (rem_read(REM_EFP_QM_ELEC_DAMP) != 0) { - check_fail(efp_get_ai_screen(impl_->efp, i, - ai_screen_ptr)); - } + INTEGER NB2 = rem_read(REM_NB2); - for (size_t j = 0; j < nat; j++) { - *z_ptr++ = atoms[j].znuc; - *xyz_ptr++ = atoms[j].x; - *xyz_ptr++ = atoms[j].y; - *xyz_ptr++ = atoms[j].z; - } - ai_screen_ptr += nfragmult; - delete[] atoms; + threading_policy::enable_omp_only(); + libqints::dev_omp dev; + dev.init(1024); + threading_policy::pop(); + //if ((rem_read(REM_USE_LIBQINTS) != 0 && dev.nthreads > 1) || (rem_read(REM_USE_LIBQINTS) > 0)) // && rem_read(REM_EFP_PAIRWISE) == 0) + if ( dev.nthreads > 1 ) // always use libqints in parallel jobs + { + //printf("\n Computed EFP polarization integrals with libqints\n"); + update_pol_qints(h, code); + return; } + qtime_t Timer = QTimerOn(); + double TimeForPolInt[3]; + + //printf("\n Compute EFP polarization integrals with MakeFld\n"); ShlPrs S2(code); double *V, *Z; - INTEGER LXmax, Kmax; + INTEGER Kmax; INTEGER NB2car = S2.getNB2car(); V = QAllocDouble(NB2car > NB2 ? NB2car : NB2); VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); - LXmax = 0; - Kmax = LFuncC(0, LXmax); + Kmax = LFuncC(0, 1); Z = QAllocDouble(Kmax * NB2car); - // charges - xyz_ptr = xyz_c; - for (size_t j1 = 0; j1 < n_charges; j1++, xyz_ptr += 3) { - double damp = ai_screen[j1]; - //that should only compute integrals for the first point - MakeFld(Z, xyz_ptr, LXmax, S2.code(), S2, 0.0); - - for (int i = 0; i < NB2; i++) { - V[i] -= Z[i] * z_c[j1]; - } + size_t n_frag; + check_fail(efp_get_frag_count(impl_->efp, &n_frag)); - if (damp > 1.0e-6) { - MakeFld(Z, xyz_ptr, LXmax, S2.code(), S2, damp); - for (int i = 0; i < NB2; i++) { - V[i] += Z[i] * z_c[j1]; - } - } - } - QFree(Z); + for (size_t fr_i = 0; fr_i < n_frag; fr_i++) { - // induced dipoles - size_t n_id; - check_fail(efp_get_induced_dipole_count(impl_->efp, &n_id)); - double *xyz_id = new double[n_id * 3]; - check_fail(efp_get_induced_dipole_coordinates(impl_->efp, xyz_id)); - double *id = new double[n_id * 3]; - check_fail(efp_get_induced_dipole_values(impl_->efp, id)); - double *idt = new double[n_id * 3]; - check_fail(efp_get_induced_dipole_conj_values(impl_->efp, idt)); - - LXmax = 1; - Kmax = LFuncC(0, LXmax); - Z = QAllocDouble(Kmax * NB2car); + size_t n_pt; + check_fail(efp_get_frag_induced_dipole_count(impl_->efp, fr_i, &n_pt)); - xyz_ptr = xyz_id; - for (size_t j1 = 0; j1 < n_id; j1++, xyz_ptr += 3) { - //that should only compute integrals for the first point - MakeFld(Z, xyz_ptr, LXmax, S2.code(), S2, 0); - for (int i = 0; i < NB2; i++) { - //dipole - V[i] -= 0.5 * (Z[i+1*NB2car] * (id[j1 * 3 + 0] + - idt[j1 * 3 + 0]) + - Z[i+2*NB2car] * (id[j1 * 3 + 1] + - idt[j1 * 3 + 1]) + - Z[i+3*NB2car] * (id[j1 * 3 + 2] + - idt[j1 * 3 + 2])); - } - } - QFree(Z); + for (size_t j = 0; j < n_pt; j++) { - // dipoles, quadrupoles, octupoles - LXmax = 3; - Kmax = LFuncC(0, LXmax); - Z = QAllocDouble(Kmax * NB2car); + struct efp_pol_pt *pt; + pt = (struct efp_pol_pt *)malloc(sizeof(struct efp_pol_pt)); + check_fail(efp_get_frag_pol_pt(impl_->efp, fr_i, j, pt)); - //find quadrupoles indices in Z array - int nxx, nyy, nzz, nxy, nxz, nyz; - KonL2K(&nxx, 2, 0, 0); - KonL2K(&nyy, 0, 2, 0); - KonL2K(&nzz, 0, 0, 2); - KonL2K(&nxy, 1, 1, 0); - KonL2K(&nxz, 1, 0, 1); - KonL2K(&nyz, 0, 1, 1); - nxx--; nyy--; nzz--; nxy--; nxz--; nyz--; + double xyz[3] = {pt->x, pt->y, pt->z}; - //find ocupole indices in Z array - int nxxx, nyyy, nzzz, nxxy, nxxz, nxyy, nyyz, nxzz, nyzz, nxyz; - KonL2K(&nxxx, 3, 0, 0); - KonL2K(&nyyy, 0, 3, 0); - KonL2K(&nzzz, 0, 0, 3); - KonL2K(&nxxy, 2, 1, 0); - KonL2K(&nxxz, 2, 0, 1); - KonL2K(&nxyy, 1, 2, 0); - KonL2K(&nyyz, 0, 2, 1); - KonL2K(&nxzz, 1, 0, 2); - KonL2K(&nyzz, 0, 1, 2); - KonL2K(&nxyz, 1, 1, 1); - nxxx--;nyyy--;nzzz--;nxxy--;nxxz--; - nxyy--;nyyz--;nxzz--;nyzz--;nxyz--; + MakeFld(Z, xyz, 1, S2.code(), S2, 0); + for (int i = 0; i < NB2; i++) { + //induced dipole + V[i] -= 0.5 * (Z[i + 1 * NB2car] * (pt->indip[0] + pt->indipconj[0]) + + Z[i + 2 * NB2car] * (pt->indip[1] + pt->indipconj[1]) + + Z[i + 3 * NB2car] * (pt->indip[2] + pt->indipconj[2])); + } - z_ptr = mult, xyz_ptr = xyz_mult; - for (size_t i1 = 0; i1 < n_mult; i1++, z_ptr += 20, xyz_ptr += 3) { - //that should only compute integrals for the first point - MakeFld(Z, xyz_ptr, LXmax, S2.code(), S2, 0); - for (int i = 0; i < NB2; i++) { - //dipole - V[i] -= Z[i+1*NB2car]*z_ptr[1] + - Z[i+2*NB2car]*z_ptr[2] + - Z[i+3*NB2car]*z_ptr[3]; - //quadrupole - V[i] -= ( Z[i+nxx*NB2car]*z_ptr[4] - + Z[i+nyy*NB2car]*z_ptr[5] - + Z[i+nzz*NB2car]*z_ptr[6] - + 2*Z[i+nxy*NB2car]*z_ptr[7] - + 2*Z[i+nxz*NB2car]*z_ptr[8] - + 2*Z[i+nyz*NB2car]*z_ptr[9]) / 3.0; - //octupole - V[i] -= ( Z[i+nxxx*NB2car]*z_ptr[10] - + Z[i+nyyy*NB2car]*z_ptr[11] - + Z[i+nzzz*NB2car]*z_ptr[12] - + 3*Z[i+nxxy*NB2car]*z_ptr[13] - + 3*Z[i+nxxz*NB2car]*z_ptr[14] - + 3*Z[i+nxyy*NB2car]*z_ptr[15] - + 3*Z[i+nyyz*NB2car]*z_ptr[16] - + 3*Z[i+nxzz*NB2car]*z_ptr[17] - + 3*Z[i+nyzz*NB2car]*z_ptr[18] - + 6*Z[i+nxyz*NB2car]*z_ptr[19]) / 15.0; + free(pt); } } VRadd(h, h, V, NB2); @@ -1501,20 +1980,15 @@ void EFP2::update_wf(double *h, INTEGER code) QFree(V); QFree(Z); - delete[] mult; - delete[] xyz_mult; - delete[] z_c; - delete[] xyz_c; - delete[] id; - delete[] idt; - delete[] xyz_id; - delete[] ai_screen; + QTimerOff(TimeForPolInt,Timer); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP polarization integrals with AOints: %.1f s (CPU) %.1f s (wall)\n",TimeForPolInt[0],TimeForPolInt[2]); } -*/ void EFP2::update_qm_atoms() { - if (rem_read(REM_EFP_FRAGMENTS_ONLY) || rem_read(REM_EFP_QM_ELEC) == 0) + bool if_qmmm = rem_read(REM_EFP_QMMM) > 0; + if (rem_read(REM_EFP_FRAGMENTS_ONLY) || (rem_read(REM_EFP_QM_ELEC) == 0 && !if_qmmm)) return; double *jA, *nucChg; @@ -1634,47 +2108,71 @@ void EFP2::compute(int do_grad) double EFP2::get_wf_dependent_energy(double *w, double n_elem) { - double energy = 0.0; - if (rem_read(REM_EFP_ORDER) != 0) { - size_t size = n_elem * sizeof(double); - impl_->user_data.qm_field_save = NULL; - impl_->user_data.density_matrix = - (double *)realloc(impl_->user_data.density_matrix, size); - memcpy(impl_->user_data.density_matrix, w, size); - impl_->user_data.dm_size = n_elem; - check_fail(efp_set_electron_density_field_user_data(impl_->efp, - &impl_->user_data)); - check_fail(efp_get_wavefunction_dependent_energy(impl_->efp, &energy)); - check_fail(efp_get_induced_dipole_values(impl_->efp, impl_->id_gs)); - check_fail(efp_get_induced_dipole_conj_values(impl_->efp, - impl_->idt_gs)); - } + double energy = 0.0; + if (rem_read(REM_EFP_ORDER) == 0 || rem_read(REM_EFP_POL) == 0 || rem_read(REM_EFP_QM_POL) == 0 || rem_read(REM_EFP_FRAGMENTS_ONLY)) + return energy; + + // mechanical or electrostatic embedding + bool do_qmmm = rem_read(REM_EFP_QMMM) == 1 || rem_read(REM_EFP_QMMM) == 2 || rem_read(REM_EFP_QMMM) == 3; + if (do_qmmm) + return energy; + + size_t size = n_elem * sizeof(double); + impl_->density_matrix = (double *)realloc(impl_->density_matrix, size); + memcpy(impl_->density_matrix, w, size); + + // do not need to go further with efp order 0 or 1 + if (rem_read(REM_EFP_ORDER) < 2) + return energy; + + // compute electric field integrals on polarizability points due to density w + check_fail(compute_electron_density_field(impl_->efp, w)); + + qtime_t Timer = QTimerOn(); + double TimeForWFdepEne[3]; + + // compute polarization energy self-consistent with density w + check_fail(efp_get_wavefunction_dependent_energy(impl_->efp, &energy)); + + QTimerOff(TimeForWFdepEne,Timer); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP wavefunction dependent energy: %.1f s (CPU) %.1f s (wall)\n",TimeForWFdepEne[0],TimeForWFdepEne[2]); impl_->wf_dep_energy_gs = energy; return energy; } +void EFP2::get_qmmm_electronic_gradient(double *w, double *grad) +{ + if (rem_read(REM_EFP_FRAGMENTS_ONLY) || rem_read(REM_EFP_QMMM) == 0) + return; + + check_fail(compute_qmmm_electronic_gradient(impl_->efp, w, grad)); +} + double EFP2::get_total_energy() { struct efp_energy energy; check_fail(efp_get_energy(impl_->efp, &energy)); - + //print_energy(); return energy.total; } -//void EFP2::get_pairwise_energy(double *densityMatrix, size_t n_elem, double *Escf) -void EFP2::get_pairwise_energy(double Estate, int if_excited) +void EFP2::compute_integral_pairwise_energy(double Estate, int if_excited) { if (rem_read(REM_EFP_FRAGMENTS_ONLY) || !rem_read(REM_EFP_PAIRWISE) || rem_read(REM_EFP_ORDER) == 0) return; INTEGER NB2 = rem_read(REM_NB2); + qtime_t Timer = QTimerOn(); + double TimeForPairInt[3]; + double *densityMatrix2; - if (impl_->user_data.density_matrix != NULL) - densityMatrix2 = impl_->user_data.density_matrix; + if (impl_->density_matrix != NULL) + densityMatrix2 = impl_->density_matrix; else printf("density matrix is empty"); @@ -1688,23 +2186,24 @@ void EFP2::get_pairwise_energy(double Estate, int if_excited) size_t n_frag; check_fail(efp_get_frag_count(impl_->efp, &n_frag)); - struct efp_energy *pair_energies = new struct efp_energy[n_frag]; + struct efp_energy *pair_energies; // = new struct efp_energy[n_frag]; + pair_energies = (struct efp_energy *)malloc(n_frag * sizeof(struct efp_energy)); check_fail(efp_get_pairwise_energy(impl_->efp, pair_energies)); // energy of QM-EFP integrals double Eint = 0.0; - INTEGER code = impl_->user_data.code; + // INTEGER code = impl_->user_data.code; + INTEGER code = impl_->code; ShlPrs S2(code); double *V, *Z, *Z0; INTEGER K0, Kmax; INTEGER NB2car = S2.getNB2car(); V = QAllocDouble(NB2car > NB2 ? NB2car : NB2); - //VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); // charges K0 = LFuncC(0, 0); - Z = QAllocDouble(K0 * NB2car); + Z0 = QAllocDouble(K0 * NB2car); //find quadrupoles indices in Z array int nxx, nyy, nzz, nxy, nxz, nyz; @@ -1731,38 +2230,43 @@ void EFP2::get_pairwise_energy(double Estate, int if_excited) nxxx--;nyyy--;nzzz--;nxxy--;nxxz--; nxyy--;nyyz--;nxzz--;nyzz--;nxyz--; - for (size_t i = 0; i < n_frag; i++) { - VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); + qtime_t TimerMult = QTimerOn(); + double TimeForMultInt[3]; + + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP pairwise integrals for %zu fragments will be computed \n", n_frag); + for (size_t fr_i = 0; fr_i < n_frag; fr_i++) { + VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); + size_t n_pt; - check_fail(efp_get_frag_multipole_count(impl_->efp, i, &n_pt)); + check_fail(efp_get_frag_multipole_count(impl_->efp, fr_i, &n_pt)); + + if (rem_read(REM_EFP_PRINT) > 1) + printf(" EFP pairwise integrals for fragment %zu containing %zu multipole points ......\n", fr_i, n_pt); // compute integrals based on the highest rank of multipoles in fragment: // 0 - charge, 1 - dipole, 2 - quad, 3 - oct - size_t rank; - check_fail(efp_get_frag_rank(impl_->efp, i, &rank)); + int rank; + check_fail(efp_get_frag_rank(impl_->efp, fr_i, &rank)); Kmax = LFuncC(0, rank); Z = QAllocDouble(Kmax * NB2car); for (size_t j = 0; j < n_pt; j++) { struct efp_mult_pt *pt; - check_fail(efp_get_frag_mult_pt(impl_->efp, i, j, pt)); + pt = (struct efp_mult_pt *)malloc(sizeof(struct efp_mult_pt)); + check_fail(efp_get_frag_mult_pt(impl_->efp, fr_i, j, pt)); double xyz[3] = {pt->x, pt->y, pt->z}; - double qi; - // compute integrals with screened monopoles separately - if (pt->if_screen0) - qi = pt->znuc; - else - qi = pt->znuc + pt->monopole; + qi = pt->znuc + pt->monopole; // all multipoles - no screening MakeFld(Z, xyz, rank, S2.code(), S2, 0); for (int i = 0; i < NB2; i++) { // charge-monopole - V[i] += Z[i] * qi; + V[i] -= Z[i] * qi; //dipole if (rank > 0) V[i] -= Z[i + 1 * NB2car] * pt->dipole[0] + @@ -1791,15 +2295,16 @@ void EFP2::get_pairwise_energy(double Estate, int if_excited) } // second call for integrals - taking care of screened monopoles - if (pt->if_screen0) { + if (pt->if_screen) { double screen = pt->screen0; double q_mon = pt->monopole; - - MakeFld(Z, xyz, 0, S2.code(), S2, screen); - for (int i = 0; i < NB2; i++) { - // charge-monopole - V[i] += Z[i] * q_mon; + if (screen > 1.0e-6 && screen < 10.0) { + MakeFld(Z0, xyz, 0, S2.code(), S2, screen); + for (int i = 0; i < NB2; i++) { + // charge-monopole + V[i] += Z0[i] * q_mon; + } } } } @@ -1813,336 +2318,78 @@ void EFP2::get_pairwise_energy(double Estate, int if_excited) double ene_tmp = 0.0; //printf("size of density matrix %d, size of V %d\n", size, (NB2car > NB2 ? NB2car : NB2)); VMtrace(&ene_tmp, densityMatrix2, V, TRUE); - //printf("elec pair_energy %lf\n",ene_tmp); + // printf("elec pair_energy %lf\n",ene_tmp); + // efp_order = 1: is a purely electrostatic component // efp_order = 2: includes electrostatics and solute polarization - // POTENTIAL BUG: maybe need to clean pair_energies properly... + // maybe need to store these pair_energies in different locations... pair_energies[fr_i].ai_electrostatic = ene_tmp; Eint += ene_tmp; } QFree(Z0); + QTimerOff(TimeForMultInt,TimerMult); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP multipole pairwise integrals: %.1f s (CPU) %.1f s (wall)\n",TimeForMultInt[0],TimeForMultInt[2]); + + qtime_t TimerPol = QTimerOn(); + double TimeForPolInt[3]; + // only do polarization integrals for efp_order = 2 if (rem_read(REM_EFP_ORDER) == 2) { - // induced dipoles - size_t n_id; - check_fail(efp_get_induced_dipole_count(impl_->efp, &n_id)); - double *xyz_id = new double[n_id * 3]; - check_fail(efp_get_induced_dipole_coordinates(impl_->efp, xyz_id)); - // Get induced dipoles from the ground state (aka old) - double *id = new double[n_id * 3]; - check_fail(efp_get_old_induced_dipole_values(impl_->efp, id)); - double *idt = new double[n_id * 3]; - check_fail(efp_get_old_induced_dipole_conj_values(impl_->efp, idt)); Kmax = LFuncC(0, 1); Z = QAllocDouble(Kmax * NB2car); - xyz_ptr = xyz_id; - int dip_count = 0; for (size_t fr_i = 0; fr_i < n_frag; fr_i++) { VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); - size_t ndip; - check_fail(efp_get_frag_induced_dipole_count(impl_->efp, fr_i, &ndip)); - - for (size_t j1 = 0; j1 < ndip; j1++, xyz_ptr += 3) { - MakeFld(Z, xyz_ptr, 1, S2.code(), S2, 0); - for (int i = 0; i < NB2; i++) { - //dipole - V[i] -= 0.5 * (Z[i + 1 * NB2car] * (id[(dip_count+j1) * 3 + 0] + idt[(dip_count+j1) * 3 + 0]) + - Z[i + 2 * NB2car] * (id[(dip_count+j1) * 3 + 1] + idt[(dip_count+j1) * 3 + 1]) + - Z[i + 3 * NB2car] * (id[(dip_count+j1) * 3 + 2] + idt[(dip_count+j1) * 3 + 2])); - } - } - dip_count += ndip; - - double ene_tmp = 0.0; - VMtrace(&ene_tmp, densityMatrix2, V, TRUE); - //printf("pol pair energy %lf\n", ene_tmp); - pair_energies[fr_i].ai_polarization = ene_tmp; - Eint += ene_tmp; - } - QFree(Z); - delete[] id; - delete[] idt; - delete[] xyz_id; - } - QFree(V); - check_fail(efp_set_pairwise_energy(impl_->efp, pair_energies)); - delete[] pair_energies; - - impl_->integral_ene = Eint; -} - -/* -void EFP2::get_pairwise_energy(double Estate, int if_excited) -{ - if (rem_read(REM_EFP_FRAGMENTS_ONLY) || !rem_read(REM_EFP_PAIRWISE) || rem_read(REM_EFP_ORDER) == 0) - return; - - INTEGER NB2 = rem_read(REM_NB2); - - double *densityMatrix2; - if (impl_->user_data.density_matrix != NULL) - densityMatrix2 = impl_->user_data.density_matrix; - else - printf("density matrix is empty"); - - if (if_excited == 0) { // ground state - impl_->Escf = Estate; - impl_->state_energy = Estate; - } - else // excited state - impl_->state_energy = impl_->Escf + Estate; - - size_t n_mult; - check_fail(efp_get_multipole_count(impl_->efp, &n_mult)); - double *xyz_mult = new double[n_mult * 3]; - check_fail(efp_get_multipole_coordinates(impl_->efp, xyz_mult)); - double *mult = new double[n_mult * (1 + 3 + 6 + 10)]; - check_fail(efp_get_multipole_values(impl_->efp, mult)); - double *ai_screen = new double[n_mult]; - memset(ai_screen, 0, n_mult * sizeof(double)); - - size_t n_frag; - check_fail(efp_get_frag_count(impl_->efp, &n_frag)); - - size_t n_atoms = 0; - for (size_t i = 0; i < n_frag; i++) { - size_t nat; - check_fail(efp_get_frag_atom_count(impl_->efp, i, &nat)); - n_atoms += nat; - } - - double *z_atom = new double[n_atoms]; - double *xyz_atom = new double [n_atoms * 3]; - //double *ai_screen_ptr; - //ai_screen_ptr = ai_screen; - int nat_count = 0; - int screen_count = 0; - for (size_t i = 0; i < n_frag; i++) { - size_t nat, nfragmult; - check_fail(efp_get_frag_atom_count(impl_->efp, i, &nat)); - check_fail(efp_get_frag_multipole_count(impl_->efp, i, &nfragmult)); - - struct efp_atom *atoms = new struct efp_atom[nat]; - check_fail(efp_get_frag_atoms(impl_->efp, i, nat, atoms)); - - for (size_t j = 0; j < nat; j++) { - z_atom[j + nat_count] = atoms[j].znuc; - xyz_atom[j*3 + 0 + nat_count*3] = atoms[j].x; - xyz_atom[j*3 + 1 + nat_count*3] = atoms[j].y; - xyz_atom[j*3 + 2 + nat_count*3] = atoms[j].z; - } - - if (rem_read(REM_EFP_QM_ELEC_DAMP) != 0) { - check_fail(efp_get_ai_screen(impl_->efp, i, ai_screen + screen_count)); - } - //ai_screen_ptr += nfragmult; - nat_count += nat; - screen_count += nfragmult; - delete[] atoms; - } - - struct efp_energy *pair_energies = new struct efp_energy[n_frag]; - check_fail(efp_get_pairwise_energy(impl_->efp, pair_energies)); - - // energy of QM-EFP integrals - double Eint = 0.0; - - INTEGER code = impl_->user_data.code; - ShlPrs S2(code); - double *V, *Z, *Z3; - INTEGER LXmax, Kmax; - INTEGER NB2car = S2.getNB2car(); - V = QAllocDouble(NB2car > NB2 ? NB2car : NB2); - //VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); + size_t n_pt; + check_fail(efp_get_frag_induced_dipole_count(impl_->efp, fr_i, &n_pt)); - // charges - LXmax = 0; - Kmax = LFuncC(0, LXmax); - Z = QAllocDouble(Kmax * NB2car); - - // multipoles up to octupoles - LXmax = 3; - Kmax = LFuncC(0, LXmax); - Z3 = QAllocDouble(Kmax * NB2car); - - //find quadrupoles indices in Z array - int nxx, nyy, nzz, nxy, nxz, nyz; - KonL2K(&nxx, 2, 0, 0); - KonL2K(&nyy, 0, 2, 0); - KonL2K(&nzz, 0, 0, 2); - KonL2K(&nxy, 1, 1, 0); - KonL2K(&nxz, 1, 0, 1); - KonL2K(&nyz, 0, 1, 1); - nxx--; nyy--; nzz--; nxy--; nxz--; nyz--; + for (size_t j = 0; j < n_pt; j++) { - //find ocupole indices in Z array - int nxxx, nyyy, nzzz, nxxy, nxxz, nxyy, nyyz, nxzz, nyzz, nxyz; - KonL2K(&nxxx, 3, 0, 0); - KonL2K(&nyyy, 0, 3, 0); - KonL2K(&nzzz, 0, 0, 3); - KonL2K(&nxxy, 2, 1, 0); - KonL2K(&nxxz, 2, 0, 1); - KonL2K(&nxyy, 1, 2, 0); - KonL2K(&nyyz, 0, 2, 1); - KonL2K(&nxzz, 1, 0, 2); - KonL2K(&nyzz, 0, 1, 2); - KonL2K(&nxyz, 1, 1, 1); - nxxx--;nyyy--;nzzz--;nxxy--;nxxz--; - nxyy--;nyyz--;nxzz--;nyzz--;nxyz--; + struct efp_pol_pt *pt; + pt = (struct efp_pol_pt *)malloc(sizeof(struct efp_pol_pt)); + check_fail(efp_get_frag_pol_pt(impl_->efp, fr_i, j, pt)); - double *xyz_ptr, *mxyz_ptr, *mult_ptr; - int ai_screen_count = 0, atom_count = 0; - xyz_ptr = xyz_atom; - mxyz_ptr = xyz_mult; - mult_ptr = mult; - for (size_t fr_i = 0; fr_i < n_frag; fr_i++) { - VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); - size_t nat, nfragmult; - check_fail(efp_get_frag_atom_count(impl_->efp, fr_i, &nat)); - check_fail(efp_get_frag_multipole_count(impl_->efp, fr_i, &nfragmult)); - - // charges - for (size_t j1 = 0; j1 < nat; j1++, xyz_ptr += 3) { - //that should only compute integrals for the first point - MakeFld(Z, xyz_ptr, 0, S2.code(), S2, 0.0); - for (int i = 0; i < NB2; i++) { - V[i] -= Z[i] * z_atom[atom_count + j1]; - } - } - atom_count += nat; + double xyz[3] = {pt->x, pt->y, pt->z}; - for (size_t i1 = 0; i1 < nfragmult; i1++, mult_ptr += 20, mxyz_ptr += 3) { - // trying to skip integral computing if higher multipoles are not present... - size_t rank; - check_fail(efp_get_frag_mult_rank(impl_->efp, fr_i, i1, &rank)); + MakeFld(Z, xyz, 1, S2.code(), S2, 0); - // if higher multipoles are there - if (rank > 0) { - MakeFld(Z3, mxyz_ptr, 3, S2.code(), S2, 0); + // use ground state induced dipoles in integral calculations for (int i = 0; i < NB2; i++) { - // charges - V[i] -= Z3[i] * mult_ptr[0]; - //dipole - V[i] -= Z3[i + 1 * NB2car] * mult_ptr[1] + - Z3[i + 2 * NB2car] * mult_ptr[2] + - Z3[i + 3 * NB2car] * mult_ptr[3]; - //quadrupole - V[i] -= (Z3[i + nxx * NB2car] * mult_ptr[4] - + Z3[i + nyy * NB2car] * mult_ptr[5] - + Z3[i + nzz * NB2car] * mult_ptr[6] - + 2 * Z3[i + nxy * NB2car] * mult_ptr[7] - + 2 * Z3[i + nxz * NB2car] * mult_ptr[8] - + 2 * Z3[i + nyz * NB2car] * mult_ptr[9]) / 3.0; - //octupole - V[i] -= (Z3[i + nxxx * NB2car] * mult_ptr[10] - + Z3[i + nyyy * NB2car] * mult_ptr[11] - + Z3[i + nzzz * NB2car] * mult_ptr[12] - + 3 * Z3[i + nxxy * NB2car] * mult_ptr[13] - + 3 * Z3[i + nxxz * NB2car] * mult_ptr[14] - + 3 * Z3[i + nxyy * NB2car] * mult_ptr[15] - + 3 * Z3[i + nyyz * NB2car] * mult_ptr[16] - + 3 * Z3[i + nxzz * NB2car] * mult_ptr[17] - + 3 * Z3[i + nyzz * NB2car] * mult_ptr[18] - + 6 * Z3[i + nxyz * NB2car] * mult_ptr[19]) / 15.0; - } - } - // only charges are there - else { - MakeFld(Z, mxyz_ptr, 0, S2.code(), S2, 0); - for (int i = 0; i < NB2; i++) { - // charges - V[i] -= Z[i] * mult_ptr[0]; - } - } - // charge damping - double damp = ai_screen[ai_screen_count + i1]; - if (damp > 1.0e-6) { - MakeFld(Z, mxyz_ptr, 0, S2.code(), S2, damp); - for (int i = 0; i < NB2; i++) { - V[i] += Z[i] * mult_ptr[0]; + V[i] -= 0.5 * (Z[i + 1 * NB2car] * (pt->indip_gs[0] + pt->indipconj_gs[0]) + + Z[i + 2 * NB2car] * (pt->indip_gs[1] + pt->indipconj_gs[1]) + + Z[i + 3 * NB2car] * (pt->indip_gs[2] + pt->indipconj_gs[2])); } - } - } - ai_screen_count += nfragmult; - - /* - printf("\n V ints \n"); - for (int k= 0; k NB2 ? NB2car : NB2)); - VMtrace(&ene_tmp, densityMatrix2, V, TRUE); - //printf("elec pair_energy %lf\n",ene_tmp); - // efp_order = 1: is a purely electrostatic component - // efp_order = 2: includes electrostatics and solute polarization - // POTENTIAL BUG: maybe need to clean pair_energies properly... - pair_energies[fr_i].ai_electrostatic = ene_tmp; - Eint += ene_tmp; - } - QFree(Z); - QFree(Z3); - delete[] mult; - delete[] xyz_mult; - delete[] ai_screen; - - // only do polarization integrals for efp_order = 2 - if (rem_read(REM_EFP_ORDER) == 2) { - // induced dipoles - size_t n_id; - check_fail(efp_get_induced_dipole_count(impl_->efp, &n_id)); - double *xyz_id = new double[n_id * 3]; - check_fail(efp_get_induced_dipole_coordinates(impl_->efp, xyz_id)); - // Get induced dipoles from the ground state (aka old) - double *id = new double[n_id * 3]; - check_fail(efp_get_old_induced_dipole_values(impl_->efp, id)); - double *idt = new double[n_id * 3]; - check_fail(efp_get_old_induced_dipole_conj_values(impl_->efp, idt)); - - LXmax = 1; - Kmax = LFuncC(0, LXmax); - Z = QAllocDouble(Kmax * NB2car); - - xyz_ptr = xyz_id; - int dip_count = 0; - for (size_t fr_i = 0; fr_i < n_frag; fr_i++) { - VRload(V, NB2car > NB2 ? NB2car : NB2, 0.0); - size_t ndip; - check_fail(efp_get_frag_induced_dipole_count(impl_->efp, fr_i, &ndip)); - for (size_t j1 = 0; j1 < ndip; j1++, xyz_ptr += 3) { - MakeFld(Z, xyz_ptr, LXmax, S2.code(), S2, 0); - for (int i = 0; i < NB2; i++) { - //dipole - V[i] -= 0.5 * (Z[i + 1 * NB2car] * (id[(dip_count+j1) * 3 + 0] + idt[(dip_count+j1) * 3 + 0]) + - Z[i + 2 * NB2car] * (id[(dip_count+j1) * 3 + 1] + idt[(dip_count+j1) * 3 + 1]) + - Z[i + 3 * NB2car] * (id[(dip_count+j1) * 3 + 2] + idt[(dip_count+j1) * 3 + 2])); - } + free(pt); } - dip_count += ndip; double ene_tmp = 0.0; VMtrace(&ene_tmp, densityMatrix2, V, TRUE); - //printf("pol pair energy %lf\n", ene_tmp); + // printf("pol pair energy %lf\n", ene_tmp); pair_energies[fr_i].ai_polarization = ene_tmp; Eint += ene_tmp; } QFree(Z); - delete[] id; - delete[] idt; - delete[] xyz_id; } QFree(V); + + QTimerOff(TimeForPolInt,TimerPol); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" EFP polarization pairwise integrals: %.1f s (CPU) %.1f s (wall)\n",TimeForPolInt[0],TimeForPolInt[2]); + check_fail(efp_set_pairwise_energy(impl_->efp, pair_energies)); delete[] pair_energies; impl_->integral_ene = Eint; -} -*/ + QTimerOff(TimeForPairInt,Timer); + if (rem_read(REM_EFP_PRINT) > 0) + printf(" Total EFP pairwise integrals: %.1f s (CPU) %.1f s (wall)\n",TimeForPairInt[0],TimeForPairInt[2]); + +} void EFP2::print_energy() { @@ -2157,6 +2404,8 @@ void EFP2::print_energy() energy.exchange_repulsion); printf("%35s %16.10lf\n", "OVERLAP-BASED CHARGE PENETRATION", energy.charge_penetration); + printf("%35s %16.10lf\n", "MM COULOMB ENERGY", energy.qq); + printf("%35s %16.10lf\n", "MM LJ ENERGY", energy.lj); printf("\n"); if (!rem_read(REM_EFP_FRAGMENTS_ONLY)) { @@ -2185,6 +2434,10 @@ void EFP2::print_pairwise_energy(int if_excited) if (rem_read(REM_EFP_FRAGMENTS_ONLY) || !rem_read(REM_EFP_PAIRWISE) || rem_read(REM_EFP_ORDER) == 0) return; + // QM/MM: not implemented so far + if (rem_read(REM_EFP_QMMM) > 0) + return; + printf("\n ------ QM---EFP PAIRWISE ENERGY ANALYSIS FOLLOWS ------------------------\n\n"); size_t n_frags; check_fail(efp_get_frag_count(impl_->efp, &n_frags)); @@ -2218,8 +2471,10 @@ void EFP2::print_pairwise_energy(int if_excited) printf("\n"); if (rem_read(REM_EFP_ORDER) == 1) { + //printf("%56s %16.10lf\n", "QM NUC/EFP ELEC ENERGY", + // energies[i].electrostatic); printf("%56s %16.10lf\n", "ELEC ENERGY ", - energies[i].electrostatic + energies[i].ai_electrostatic); + energies[i].electrostatic + energies[i].ai_electrostatic); } if (rem_read(REM_EFP_ORDER) == 2) { printf("%56s %16.10lf\n", "ELEC + SOLUTE POL ENERGY ", @@ -2281,7 +2536,6 @@ void EFP2::print_pairwise_energy(int if_excited) check_fail(efp_get_energy(impl_->efp, &energy)); Eefp = energy.total; - //check_fail(efp_get_wavefunction_dependent_energy(impl_->efp, &Epol)); double Eqm = 0.0; if (rem_read(REM_EFP_ORDER) == 1) { Eqm = impl_->state_energy - Eefp; @@ -2295,6 +2549,7 @@ void EFP2::print_pairwise_energy(int if_excited) printf("\n ------ QM---EFP PAIRWISE ENERGY ANALYSIS COMPLETED ---------------------\n\n"); } +/* void EFP2::get_qm_gradient(std::vector& grad) { size_t n_atoms; @@ -2303,6 +2558,23 @@ void EFP2::get_qm_gradient(std::vector& grad) grad.resize(3 * n_atoms); check_fail(efp_get_point_charge_gradient(impl_->efp, &grad.front())); } +*/ + +void EFP2::get_qmmm_nuclear_gradient(double *grad) +{ + // before asking for the gradient on QM nuclei (ptc points), add LJ contributions to them + check_fail(update_gradient_special_fragment(impl_->efp)); + + size_t n_atoms; + check_fail(efp_get_point_charge_count(impl_->efp, &n_atoms)); + + // need vector here + std::vector grad_vec; + grad_vec.resize(3*n_atoms); + check_fail(efp_get_point_charge_gradient(impl_->efp, &grad_vec.front())); + // convert from vector to double array + copy(grad_vec.begin(),grad_vec.end(),grad); +} void EFP2::get_gradient(std::vector& grad) { @@ -2315,6 +2587,5 @@ void EFP2::get_gradient(std::vector& grad) extern "C" void efpenergypol2(double *jPv, INTEGER *size, double *Ecis, double *energy) { - *energy = EFP2::instance().get_excited_state_energy_correction( - jPv, *size, *Ecis); + *energy = EFP2::instance().get_excited_state_energy_correction(jPv, *size, *Ecis); } diff --git a/EFP2.h b/EFP2.h index bd70fd24..863da5bc 100644 --- a/EFP2.h +++ b/EFP2.h @@ -17,13 +17,25 @@ class EFP2 { /* Returns if_multipole_field value. */ bool get_if_multipole_field(); - /* Returns updated if_multipole_field value. */ - void update_multipole_field(); + /* Modifies if_multipole_field that determines whether multipole integrals need to be computed + * Currently computes multipole integrals two times (it's a mystery why second time is needed) + * for each geometry */ + void update_multipole_field(bool true_false); + + /* Modifies if_multipole_field that determines whether multipole integrals need to be computed + * Currently computes multipole integrals two times (it's a mystery why second time is needed) + * for each geometry */ + //void update_multipole_field(); + /* Returns if_pol_field value. */ bool get_if_pol_field(); - /* Returns updated if_pol_field value. */ + /* sets if_pol_field value. */ + void set_if_pol_field(bool true_false); + + /* Modifies if_pol_field value that determines whether pol integrals need + * to be computed (true) or read from disk (false) */ void update_pol_field(); /* Reorient EFP fragments according to Q-Chem's orientation of @@ -44,6 +56,19 @@ class EFP2 { * computed. */ void compute(int do_grad); + /* Update quantum mechanical Hamiltonian with the contributions + * from EFP multipoles using libqints. + * \p h - a Hamiltonian matrix. + * \p code - Q-Chem's ShlPrs code. */ + void update_mult_qints(double *h, INTEGER code); + + /* Update quantum mechanical Hamiltonian with the contributions + * from EFP MM atoms using libqints. + * @param h - Hamiltonian matrix. + * @param code - Q-Chem's ShlPrs code. + */ + void update_mm_qints(double *h, INTEGER code); + /* Update quantum mechanical Hamiltonian with the contributions * from EFP multipoles and atoms using AOints. * \p h - a Hamiltonian matrix. @@ -51,22 +76,23 @@ class EFP2 { void update_mult_ints(double *h, INTEGER code); /* Update quantum mechanical Hamiltonian with the contributions - * from EFP induced diples using AOints. + * from EFP induced dipoles using libqints. + * \p h - a Hamiltonian matrix. +* \p code - Q-Chem's ShlPrs code. */ + void update_pol_qints(double *h, INTEGER code); + + /* Update quantum mechanical Hamiltonian with the contributions + * from EFP induced dipoles using AOints. * \p h - a Hamiltonian matrix. * \p code - Q-Chem's ShlPrs code. */ void update_pol_ints(double *h, INTEGER code); - /* Update quantum mechanical Hamiltonian with the contributions - * from EFPs using AOints. - * \p h - a Hamiltonian matrix. - * \p code - Q-Chem's ShlPrs code. */ - // void update_wf(double *h, INTEGER code); - /* Update quantum mechanical Hamiltonian with the contributions * from EFPs using libqints. + * NEED TO BE UPDATED TO MATCH NEW EFP STRUCTURE * \p h - a Hamiltonian matrix. * \p code - Q-Chem's ShlPrs code. */ - void update_wf_qints(double *h, INTEGER code); + // void update_wf_qints(double *h, INTEGER code); /* Update the positions of quantum nuclei for libefp. */ void update_qm_atoms(); @@ -76,6 +102,12 @@ class EFP2 { * \p n - is a total number of elements in array \p w. */ double get_wf_dependent_energy(double *w, double n); + /* Compute electronic-EFP MM charge gradient on QM atoms + * \p w - is a density matrix. + * \p grad - gradient + */ + void get_qmmm_electronic_gradient(double *w, double *grad); + /* Returns the total EFP energy. */ double get_total_energy(); @@ -85,10 +117,16 @@ class EFP2 { * \p Ecis - excitation energy */ double get_excited_state_energy_correction(double *w, size_t n, double Ecis); + /* return gradient on QM atoms due to nuclear-MM charge & LJ terms + * \p grad - gradient array of size 3*N where N is the number of QM atoms + */ + void get_qmmm_nuclear_gradient(double *grad); + /* Returns gradient on quantum nuclei from EFP electrostatics. * Upon return the \p a vector will contain 3*N elements of - * gradient, where N is the number of QM atoms. */ - void get_qm_gradient(std::vector &a); + * gradient, where N is the number of QM atoms. + * not used now */ + //void get_qm_gradient(std::vector &a); /* Returns current EFP gradient. * The vector \p a will contain 6*N gradient values for @@ -97,9 +135,9 @@ class EFP2 { void get_gradient(std::vector &a); /* computes pairwise energies between QM region and EFP fragments. - * \p Escf - reference AI energy (HF or excitation energy) + * \p Estate - reference AI energy (HF or excitation energy) * \p if_excited = 1/0 a switch to distinguish between the ground state (0) or excited state (1). */ - void get_pairwise_energy(double Estate, int if_excited); + void compute_integral_pairwise_energy(double Estate, int if_excited); /* Print EFP energy terms to stdout. */ void print_energy(); @@ -114,6 +152,7 @@ class EFP2 { return instance; } + private: EFP2(); EFP2(const EFP2 &); diff --git a/efpmd/CMakeLists.txt b/efpmd/CMakeLists.txt index d70ea295..80cf5393 100644 --- a/efpmd/CMakeLists.txt +++ b/efpmd/CMakeLists.txt @@ -84,8 +84,10 @@ if(torch_switch) message("TORCH_INCLUDE_DIRS = ${TORCH_INCLUDE_DIRS}") endif() +#CXX_STANDARD 14 + set_target_properties(efpmd PROPERTIES - CXX_STANDARD 14 + CXX_STANDARD 17 CXX_STANDARD_REQUIRED YES ) diff --git a/efpmd/src/main.c b/efpmd/src/main.c index d08a10e0..feb4266a 100644 --- a/efpmd/src/main.c +++ b/efpmd/src/main.c @@ -147,6 +147,7 @@ static struct cfg *make_cfg(void) cfg_add_bool(cfg, "hess_central", false); cfg_add_double(cfg, "num_step_dist", 0.001); cfg_add_double(cfg, "num_step_angle", 0.01); + cfg_add_double(cfg, "pol_damp_value", 0.6); cfg_add_enum(cfg, "ensemble", ENSEMBLE_TYPE_NVE, "nve\n" @@ -351,6 +352,7 @@ static struct efp *create_efp(const struct cfg *cfg, const struct sys *sys) .elec_damp = cfg_get_enum(cfg, "elec_damp"), .disp_damp = cfg_get_enum(cfg, "disp_damp"), .pol_damp = cfg_get_enum(cfg, "pol_damp"), + .pol_damp_tt_value = cfg_get_double(cfg, "pol_damp_value"), .pol_driver = cfg_get_enum(cfg, "pol_driver"), .enable_pbc = cfg_get_bool(cfg, "enable_pbc"), .enable_elpot = cfg_get_bool(cfg, "enable_elpot"), @@ -367,7 +369,7 @@ static struct efp *create_efp(const struct cfg *cfg, const struct sys *sys) .print = cfg_get_int(cfg, "print") }; - // adjustoing special terms + // adjusting special terms if (opts.special_terms == 0) opts.special_terms = opts.terms; enum efp_coord_type coord_type = cfg_get_enum(cfg, "coord"); @@ -376,14 +378,6 @@ static struct efp *create_efp(const struct cfg *cfg, const struct sys *sys) if (!efp) error("unable to create efp object"); - if (cfg_get_bool(cfg, "single_params_file")) - check_fail(efp_add_potential(efp, cfg_get_string(cfg, "efp_params_file"))); - else - add_potentials(efp, cfg, sys); - - for (size_t i = 0; i < sys->n_frags; i++) - check_fail(efp_add_fragment(efp, sys->frags[i].name)); - if (sys->n_charges > 0) { double q[sys->n_charges]; double pos[3 * sys->n_charges]; @@ -407,10 +401,19 @@ static struct efp *create_efp(const struct cfg *cfg, const struct sys *sys) if (cfg_get_bool(cfg, "enable_ff")) opts.terms &= ~(EFP_TERM_ELEC | EFP_TERM_POL | EFP_TERM_DISP | EFP_TERM_XR); + check_fail(efp_set_opts(efp, &opts)); + + if (cfg_get_bool(cfg, "single_params_file")) + check_fail(efp_add_potential(efp, cfg_get_string(cfg, "efp_params_file"))); + else + add_potentials(efp, cfg, sys); + + for (size_t i = 0; i < sys->n_frags; i++) + check_fail(efp_add_fragment(efp, sys->frags[i].name)); + if (opts.enable_pairwise) check_fail(efp_add_ligand(efp, opts.ligand)); - check_fail(efp_set_opts(efp, &opts)); check_fail(efp_prepare(efp)); check_fail(efp_set_symmlist(efp)); diff --git a/efpmd/torch/CMakeLists.txt b/efpmd/torch/CMakeLists.txt index b249dac0..3200e58b 100644 --- a/efpmd/torch/CMakeLists.txt +++ b/efpmd/torch/CMakeLists.txt @@ -17,7 +17,7 @@ target_include_directories(ctorch PRIVATE ${TORCH_INCLUDE_DIRS}) target_link_libraries(ctorch PUBLIC "${TORCH_LIBRARIES}") set_target_properties(ctorch PROPERTIES - CXX_STANDARD 14 + CXX_STANDARD 17 CXX_STANDARD_REQUIRED YES ) diff --git a/fraglib/h2o_polab.efp b/fraglib/h2o_polab.efp new file mode 100644 index 00000000..1fe4b797 --- /dev/null +++ b/fraglib/h2o_polab.efp @@ -0,0 +1,1274 @@ + RUNTYP=MAKEFP EFFECTIVE FRAGMENT POTENTIAL DATA FOLLOWS... + FRAGNAMEEFP GENERATED AT Tue Mar 27 16:14:27 2012 + $H2O_POLAB_L +EFP DATA FOR FRAGNAME SCFTYP=RHF ... 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0.00000000E+00 1.26629153E-02 7.88446024E-03 0.00000000E+00 +65 12-8.13573905E-03 3.26887136E-02 2.35200572E-03 5.32988393E-03 5.39665247E-03 +65 13-4.30579792E-03 0.00000000E+00-1.26629153E-02 7.88446024E-03 0.00000000E+00 + CANONFOK + -20.5617458625 -1.3616019881 -0.7318138944 -0.5849984055 > + -0.5112380373 0.0432554964 0.0717547303 0.2345793808 > + 0.2454943112 0.2455797573 0.2635407974 0.3021661939 > + 0.3097472857 0.6863465193 0.7114696427 0.8003689475 > + 0.8165373144 0.8749390523 1.0511254087 1.0615426340 > + 1.0778733536 1.1915950433 1.2241343223 1.2669419338 > + 1.3295289533 1.3583064629 1.3802104417 1.5421837637 > + 1.8323327538 1.8854097375 2.7903389878 2.9104985875 > + 3.1389643487 3.3867546667 3.4133437052 3.5152920438 > + 3.7438217719 3.8044785244 4.0173772245 4.3366580836 > + 4.4359912089 4.6571041385 5.0907212219 5.1814450301 > + 5.2156256286 5.4412068194 5.5152166347 5.6524675546 > + 5.7047667165 5.9551368249 6.0948217887 6.2373672777 > + 7.3039036079 7.4231589163 7.9774361290 15.0274792188 > + 15.0582409825 15.1002803194 15.4743099268 15.8478809567 > + 17.2180503404 17.3694129799 17.5068818824 19.3589157111 > + 62.9269162019 + STOP +SCREEN2 (FROM VDWSCL= 0.700) + A01O1 1.000000000 1.995300393 + A02H2 1.000000000 2.343164888 + A03H3 1.000000000 2.344880701 + BO21 1.000000000 3.225057762 + BO31 1.000000000 3.216505597 +STOP +SCREEN (FROM VDWSCL= 0.700) + A01O1 1.000000000 1.020021626 + A02H2 1.000000000 0.893183530 + A03H3 1.000000000 0.893183174 + BO21 1.000000000 10.000000000 + BO31 1.000000000 10.000000000 +STOP +POLAB 0.1 +STOP + $END diff --git a/setup.sh b/setup.sh index 34557c61..15b00cf0 100644 --- a/setup.sh +++ b/setup.sh @@ -1,13 +1,13 @@ -#!/bin/zsh +#!/bin/bash export TORCH_SWITCH=ON -export LIBEFP_DIR="./" +export LIBEFP_DIR="/Users/lyuda/LIBEFP/libefp_2025" export INSTALLATION_DIR="$LIBEFP_DIR" if [[ "$TORCH_SWITCH" == "ON" ]] then # Set the installation directory for LibTorch - export TORCH_INSTALLED_DIR="" + export TORCH_INSTALLED_DIR="/Users/lyuda/LIBEFP/LIBTORCH/libtorch" export LIBTORCH_INCLUDE_DIRS="$TORCH_INSTALLED_DIR/include/;$TORCH_INSTALLED_DIR/include/torch/csrc/api/include" export TORCHANI_DIR="$LIBEFP_DIR/efpmd/torch" diff --git a/src/efp.c b/src/efp.c index 84f661a3..491696b1 100644 --- a/src/efp.c +++ b/src/efp.c @@ -496,7 +496,7 @@ check_params(struct efp *efp) enum efp_result res; for (size_t i = 0; i < efp->n_frag; i++) { - if (efp->opts.print > 1) + if (efp->opts.print > 2) print_frag_info(efp, i); if ((res = check_frag_params(&efp->opts, efp->frags + i))) { efp_log("check_params() failure"); @@ -607,6 +607,10 @@ compute_two_body_range(struct efp *efp, size_t frag_from, size_t frag_to, if ((do_elec(&efp->opts) || special_elec) && efp->frags[i].n_multipole_pts > 0 && efp->frags[fr_j].n_multipole_pts > 0) { e_elec_tmp = efp_frag_frag_elec(efp, i, fr_j); + + if (efp->opts.print > 0 && fabs(e_elec_tmp) > 1.0) + printf(" WARNING: elec energy between fragments %zu and %zu is %lf \n", i, fr_j, e_elec_tmp); + // zeroing the energy contribution on the special fragment in torch custom models if (efp->opts.enable_elpot && if_special_fragment) e_elec_tmp = 0.0; //e_elec_tmp = efp_frag_frag_elec(efp, i, fr_j); @@ -662,9 +666,9 @@ compute_two_body_range(struct efp *efp, size_t frag_from, size_t frag_to, if (efp->opts.print > 1) { printf(" In compute_two_body_range() \n"); print_ene(&efp->energy); - if (efp->opts.enable_pairwise) - print_energies(efp); } + if (efp->opts.print > 2 && efp->opts.enable_pairwise) + print_energies(efp); } EFP_EXPORT enum efp_result @@ -1559,6 +1563,7 @@ efp_get_frag_ai_screen(struct efp *efp, size_t frag_idx, double *screen, int if_ return EFP_RESULT_SUCCESS; } +/* EFP_EXPORT enum efp_result efp_get_all_ai_screen(struct efp *efp, double *screen) { @@ -1576,6 +1581,27 @@ efp_get_all_ai_screen(struct efp *efp, double *screen) return EFP_RESULT_SUCCESS; } +*/ + +EFP_EXPORT enum efp_result +efp_get_ho_ai_screen(struct efp *efp, double *screen) +{ + assert(efp); + assert(screen); + + for (size_t i = 0; i < efp->n_frag; i++) + if (efp->frags[i].multipole_rank > 0) { + struct frag *frag = efp->frags + i; + + for (size_t j = 0; j < frag->n_multipole_pts; j++) { + struct multipole_pt *pt = frag->multipole_pts + j; + *screen++ = pt->screen0; + } + } + + return EFP_RESULT_SUCCESS; +} + /* EFP_EXPORT enum efp_result efp_get_ai_screen(struct efp *efp, size_t frag_idx, double *screen) @@ -1729,7 +1755,7 @@ efp_compute(struct efp *efp, int do_gradient) efp_balance_work(efp, compute_two_body_range, NULL); } else { // high-symmetry crystals - if ((res = compute_two_body_crystal(efp))) { + if ((res = compute_two_body_crystal(efp))){ efp_log("compute_two_body_crystal() failure"); return res; } @@ -1739,11 +1765,11 @@ efp_compute(struct efp *efp, int do_gradient) efp_log("efp_compute_pol() failure"); return res; } - if ((res = efp_compute_ai_elec(efp))) { + if ((res = efp_compute_ai_elec(efp))){ efp_log("efp_compute_ai_elec() failure"); return res; } - if ((res = efp_compute_ai_disp(efp))) { + if ((res = efp_compute_ai_disp(efp))){ efp_log("efp_compute_ai_disp() failure"); return res; } @@ -1856,7 +1882,7 @@ efp_get_frag_rank(struct efp *efp, size_t frag_idx, size_t *rank) */ EFP_EXPORT enum efp_result -efp_get_frag_rank(struct efp *efp, size_t frag_idx, size_t *rank) +efp_get_frag_rank(struct efp *efp, size_t frag_idx, int *rank) { assert(efp); assert(rank); @@ -1864,25 +1890,12 @@ efp_get_frag_rank(struct efp *efp, size_t frag_idx, size_t *rank) struct frag *frag = efp->frags + frag_idx; - *rank = 0; - for (size_t i=0; in_multipole_pts; i++) { - struct multipole_pt *pt = frag->multipole_pts + i; - size_t rank_tmp = 0; - if (pt->if_dip) - rank_tmp = 1; - if (pt->if_quad) - rank_tmp = 2; - if (pt->if_oct) - rank_tmp = 3; - if (rank_tmp > *rank) - *rank = rank_tmp; - if (*rank == 3) - break; - } + *rank = frag->multipole_rank; return EFP_RESULT_SUCCESS; } +/* EFP_EXPORT enum efp_result efp_get_multipole_count(struct efp *efp, size_t *n_mult) { @@ -1897,7 +1910,41 @@ efp_get_multipole_count(struct efp *efp, size_t *n_mult) *n_mult = sum; return EFP_RESULT_SUCCESS; } +*/ +EFP_EXPORT enum efp_result +efp_get_ho_multipole_count(struct efp *efp, size_t *n_mult) +{ + size_t sum = 0; + + assert(efp); + assert(n_mult); + + for (size_t i = 0; i < efp->n_frag; i++) + if (efp->frags[i].multipole_rank > 0) + sum += efp->frags[i].n_multipole_pts; + + *n_mult = sum; + return EFP_RESULT_SUCCESS; +} + +EFP_EXPORT enum efp_result +efp_get_mm_multipole_count(struct efp *efp, size_t *n_mult) +{ + size_t sum = 0; + + assert(efp); + assert(n_mult); + + for (size_t i = 0; i < efp->n_frag; i++) + if (efp->frags[i].multipole_rank == 0) + sum += efp->frags[i].n_multipole_pts; + + *n_mult = sum; + return EFP_RESULT_SUCCESS; +} + +/* EFP_EXPORT enum efp_result efp_get_multipole_coordinates(struct efp *efp, double *xyz) { @@ -1915,7 +1962,47 @@ efp_get_multipole_coordinates(struct efp *efp, double *xyz) } return EFP_RESULT_SUCCESS; } +*/ + +EFP_EXPORT enum efp_result +efp_get_ho_multipole_coordinates(struct efp *efp, double *xyz) +{ + assert(efp); + assert(xyz); + + for (size_t i = 0; i < efp->n_frag; i++) + if (efp->frags[i].multipole_rank > 0) { + struct frag *frag = efp->frags + i; + + for (size_t j = 0; j < frag->n_multipole_pts; j++) { + *xyz++ = frag->multipole_pts[j].x; + *xyz++ = frag->multipole_pts[j].y; + *xyz++ = frag->multipole_pts[j].z; + } + } + return EFP_RESULT_SUCCESS; +} +EFP_EXPORT enum efp_result +efp_get_mm_multipole_coordinates(struct efp *efp, double *xyz) +{ + assert(efp); + assert(xyz); + + for (size_t i = 0; i < efp->n_frag; i++) + if (efp->frags[i].multipole_rank == 0) { + struct frag *frag = efp->frags + i; + + for (size_t j = 0; j < frag->n_multipole_pts; j++) { + *xyz++ = frag->multipole_pts[j].x; + *xyz++ = frag->multipole_pts[j].y; + *xyz++ = frag->multipole_pts[j].z; + } + } + return EFP_RESULT_SUCCESS; +} + +/* EFP_EXPORT enum efp_result efp_get_multipole_values(struct efp *efp, double *mult) { @@ -1928,7 +2015,8 @@ efp_get_multipole_values(struct efp *efp, double *mult) for (size_t j = 0; j < frag->n_multipole_pts; j++) { struct multipole_pt *pt = frag->multipole_pts + j; - *mult++ = pt->monopole; + // monopole and nuclear charges are added together as of 2025: LVS + *mult++ = pt->monopole + pt->znuc; *mult++ = pt->dipole.x; *mult++ = pt->dipole.y; @@ -1942,7 +2030,97 @@ efp_get_multipole_values(struct efp *efp, double *mult) } return EFP_RESULT_SUCCESS; } +*/ + +EFP_EXPORT enum efp_result +efp_get_ho_multipole_values(struct efp *efp, double *mult) +{ + assert(efp); + assert(mult); + + for (size_t i = 0; i < efp->n_frag; i++) + if (efp->frags[i].multipole_rank > 0) { + struct frag *frag = efp->frags + i; + + for (size_t j = 0; j < frag->n_multipole_pts; j++) { + struct multipole_pt *pt = frag->multipole_pts + j; + + // monopole and nuclear charges are added together as of 2025: LVS + *mult++ = pt->monopole + pt->znuc; + + *mult++ = pt->dipole.x; + *mult++ = pt->dipole.y; + *mult++ = pt->dipole.z; + + for (size_t t = 0; t < 6; t++) + *mult++ = pt->quadrupole[t]; + for (size_t t = 0; t < 10; t++) + *mult++ = pt->octupole[t]; + } + } + return EFP_RESULT_SUCCESS; +} + +EFP_EXPORT enum efp_result +efp_get_mm_multipole_values(struct efp *efp, double *mult) +{ + assert(efp); + assert(mult); + + for (size_t i = 0; i < efp->n_frag; i++) + if (efp->frags[i].multipole_rank == 0) { + struct frag *frag = efp->frags + i; + + for (size_t j = 0; j < frag->n_multipole_pts; j++) { + struct multipole_pt *pt = frag->multipole_pts + j; + + // monopole and nuclear charges are added together as of 2025: LVS + *mult++ = pt->monopole + pt->znuc; + } + } + return EFP_RESULT_SUCCESS; +} + +/* +EFP_EXPORT enum efp_result +efp_get_mono_values(struct efp *efp, double *monopoles) +{ + assert(efp); + assert(monopoles); + + for (size_t i = 0; i < efp->n_frag; i++) { + struct frag *frag = efp->frags + i; + + for (size_t j = 0; j < frag->n_multipole_pts; j++) { + struct multipole_pt *pt = frag->multipole_pts + j; + + *monopoles++ = pt->monopole; + } + } + return EFP_RESULT_SUCCESS; +} +*/ +EFP_EXPORT enum efp_result +efp_get_ho_mono_values(struct efp *efp, double *monopoles) +{ + assert(efp); + assert(monopoles); + + for (size_t i = 0; i < efp->n_frag; i++) + if (efp->frags[i].multipole_rank > 0) { + struct frag *frag = efp->frags + i; + + for (size_t j = 0; j < frag->n_multipole_pts; j++) { + struct multipole_pt *pt = frag->multipole_pts + j; + + *monopoles++ = pt->monopole; + } + } + return EFP_RESULT_SUCCESS; +} + +/* EFP_EXPORT enum efp_result efp_get_dipole_values(struct efp *efp, double *dipoles) { @@ -1998,6 +2176,7 @@ efp_get_octupole_values(struct efp *efp, double *oct) } return EFP_RESULT_SUCCESS; } +*/ EFP_EXPORT enum efp_result efp_get_frag_induced_dipole_count(struct efp *efp, size_t frag_idx, size_t *n_dip) @@ -2653,12 +2832,34 @@ save_ai_field_pol_pt(struct efp *efp, struct efp_pol_pt *pol_pt, size_t frag_idx pt->elec_field_wf.y = pol_pt->ai_field[1]; pt->elec_field_wf.z = pol_pt->ai_field[2]; - if (efp->opts.print > 1) + if (efp->opts.print > 3) print_pol_pt(efp,frag_idx,pt_idx); return EFP_RESULT_SUCCESS; } +EFP_EXPORT enum efp_result +save_ai_field(struct efp *efp, double *field) { + assert(efp); + assert(field); + + size_t k = 0; + for (size_t i = 0; i < efp->n_frag; i++) { + struct frag *frag = efp->frags + i; + + for (size_t j = 0; j < frag->n_polarizable_pts; j++) { + struct polarizable_pt *pt = frag->polarizable_pts + j; + + pt->elec_field_wf.x = -field[k]; + pt->elec_field_wf.y = -field[k+1]; + pt->elec_field_wf.z = -field[k+2]; + k = k+3; + + //print_pol_pt(efp,i,j); + } + } + return EFP_RESULT_SUCCESS; +} EFP_EXPORT void efp_torque_to_derivative(const double *euler, const double *torque, @@ -2688,7 +2889,7 @@ efp_banner(void) static const char banner[] = "LIBEFP ver. " LIBEFP_VERSION_STRING "\n" "Copyright (c) 2012-2017 Ilya Kaliman\n" - " 2018-2022 Lyudmila Slipchenko\n" + " 2018-2025 Lyudmila Slipchenko\n" "\n" "Journal References:\n" " - Kaliman and Slipchenko, JCC 2013.\n" diff --git a/src/efp.h b/src/efp.h index 4064cdb8..bdccf332 100644 --- a/src/efp.h +++ b/src/efp.h @@ -177,6 +177,8 @@ struct efp_opts { enum efp_elec_damp elec_damp; /** Polarization damping type (see #efp_pol_damp). */ enum efp_pol_damp pol_damp; + /** Polarization damping value (see #efp_pol_damp_tt_value). */ + double pol_damp_tt_value; /** Driver used to find polarization induced dipoles. */ enum efp_pol_driver pol_driver; /** Enable periodic boundary conditions if nonzero. */ @@ -775,15 +777,21 @@ enum efp_result efp_get_stress_tensor(struct efp *efp, double *stress); /** * Get all ab initio screening parameters. - * * \param[in] efp The efp structure. - * * \param[out] screen Array of N elements where screening parameters will be * stored. N is the total number of multipole points in all fragments. - * * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. */ -enum efp_result efp_get_all_ai_screen(struct efp *efp, double *screen); +//enum efp_result efp_get_all_ai_screen(struct efp *efp, double *screen); + +/** + * Get electrostatics ab initio screening parameters of high-order multipoles. + * \param[in] efp The efp structure. + * \param[out] screen Array of N elements where screening parameters will be + * stored. N is the total number of multipole points in all fragments. + * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. + */ +enum efp_result efp_get_ho_ai_screen(struct efp *efp, double *screen); /** * Get the ab initio screening parameters for one fragment. @@ -944,7 +952,7 @@ enum efp_result efp_get_frag_multipole_coord(struct efp *efp, size_t frag_idx, * @return ::EFP_RESULT_SUCCESS on success or error code otherwise. */ enum efp_result -efp_get_frag_rank(struct efp *efp, size_t frag_idx, size_t *rank); +efp_get_frag_rank(struct efp *efp, size_t frag_idx, int *rank); /** * Get total number of multipoles from EFP electrostatics. @@ -955,7 +963,23 @@ efp_get_frag_rank(struct efp *efp, size_t frag_idx, size_t *rank); * * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. */ -enum efp_result efp_get_multipole_count(struct efp *efp, size_t *n_mult); +//enum efp_result efp_get_multipole_count(struct efp *efp, size_t *n_mult); + +/** + * Get the total number of high-order (large than monopoles) multipole points from EFP electrostatics. + * \param[in] efp The efp structure. + * \param[out] n_mult Number of electrostatics multipoles. + * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. + */ +enum efp_result efp_get_ho_multipole_count(struct efp *efp, size_t *n_mult); + +/** + * Get the total number of charge-only multipole points from EFP electrostatics. + * \param[in] efp The efp structure. + * \param[out] n_mult Number of electrostatics multipoles. + * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. + */ +enum efp_result efp_get_mm_multipole_count(struct efp *efp, size_t *n_mult); /** * Get coordinates of electrostatics multipoles. @@ -969,7 +993,29 @@ enum efp_result efp_get_multipole_count(struct efp *efp, size_t *n_mult); * * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. */ -enum efp_result efp_get_multipole_coordinates(struct efp *efp, double *xyz); +//enum efp_result efp_get_multipole_coordinates(struct efp *efp, double *xyz); + +/** + * Get coordinates of high-order (higher than monopoles) electrostatics multipoles. + * \param[in] efp The efp structure. + * \param[out] xyz Array where coordinates of EFP electrostatics multipoles + * will be stored. Size of the \p xyz array must be at least [3 * \p n_mult] + * elements, where \p n_mult is the value returned by the + * ::efp_get_multipole_count function. + * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. + */ +enum efp_result efp_get_ho_multipole_coordinates(struct efp *efp, double *xyz); + +/** + * Get coordinates of monopole-only electrostatics multipoles. + * \param[in] efp The efp structure. + * \param[out] xyz Array where coordinates of EFP electrostatics multipoles + * will be stored. Size of the \p xyz array must be at least [3 * \p n_mult] + * elements, where \p n_mult is the value returned by the + * ::efp_get_multipole_count function. + * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. + */ +enum efp_result efp_get_mm_multipole_coordinates(struct efp *efp, double *xyz); /** * Get electrostatics multipoles from EFP fragments. @@ -992,7 +1038,63 @@ enum efp_result efp_get_multipole_coordinates(struct efp *efp, double *xyz); * * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. */ -enum efp_result efp_get_multipole_values(struct efp *efp, double *mult); +//enum efp_result efp_get_multipole_values(struct efp *efp, double *mult); + +/** + * Get high-order (higher than monopoles) electrostatics multipoles from EFP fragments. + * \param[in] efp The efp structure. + * \param[out] mult Array where charges, dipoles, quadrupoles, and octupoles + * for each point will be stored. + * The size of the \p mult array must be at least [(1 + 3 + 6 + 10) * \p + * n_mult] elements (charges + dipoles + quadrupoles + octupoles), where \p + * n_mult is the value returned by the ::efp_get_multipole_count function. + * Quadrupoles are stored in the following order: + * \a xx, \a yy, \a zz, \a xy, \a xz, \a yz + * Octupoles are stored in the following order: + * \a xxx, \a yyy, \a zzz, \a xxy, \a xxz, + * \a xyy, \a yyz, \a xzz, \a yzz, \a xyz + * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. + */ +enum efp_result efp_get_ho_multipole_values(struct efp *efp, double *mult); + +/** + * Get (elec + nuc charges) values from monopole-only electrostatics multipoles from EFP fragments. + * \param[in] efp The efp structure. + * \param[out] mult Array where charges, dipoles, quadrupoles, and octupoles + * for each point will be stored. + * The size of the \p mult array must be at least [\p n_mult] + * elements, where \p + * n_mult is the value returned by the ::efp_get_multipole_count function. + * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. + */ +enum efp_result efp_get_mm_multipole_values(struct efp *efp, double *mult); + +/** + * + * @param efp The efp structure. + * @param[out] monopoles Array with all efp monopoles. + * + * The size of the \p monopoles array must be at least [\p n_mult] elements + * where \p n_mult is the value returned by the ::efp_get_multipole_count function. + * Only monopoles (no nuclear charges) are returned by this funciton. + * + * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. + */ +//enum efp_result efp_get_mono_values(struct efp *efp, double *monopoles); + +/** + * Get elec-only charges from high-order electrostatic multipoles + * (typically needed for qm-efp electrostatic screening) + * @param efp The efp structure. + * @param[out] monopoles Array with all efp monopoles. + * + * The size of the \p monopoles array must be at least [\p n_mult] elements + * where \p n_mult is the value returned by the ::efp_get_multipole_count function. + * Only monopoles (no nuclear charges) are returned by this funciton. + * + * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. + */ +enum efp_result efp_get_ho_mono_values(struct efp *efp, double *monopoles); /** * Get electrostatics dipoles from EFP fragments. @@ -1001,12 +1103,12 @@ enum efp_result efp_get_multipole_values(struct efp *efp, double *mult); * * \param[out] dipoles Array with all efp dipoles. * - * The size of the \p mult array must be at least [3 * \p n_mult] elements + * The size of the \p dipoles array must be at least [3 * \p n_mult] elements * where \p n_mult is the value returned by the ::efp_get_multipole_count function. * * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. */ -enum efp_result efp_get_dipole_values(struct efp *efp, double *dipoles); +//enum efp_result efp_get_dipole_values(struct efp *efp, double *dipoles); /** * Get electrostatics quadrupoles from EFP fragments. @@ -1023,7 +1125,7 @@ enum efp_result efp_get_dipole_values(struct efp *efp, double *dipoles); * * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. */ -enum efp_result efp_get_quadrupole_values(struct efp *efp, double *quad); +//enum efp_result efp_get_quadrupole_values(struct efp *efp, double *quad); /** * Get electrostatics octupoles from EFP fragments. @@ -1041,7 +1143,7 @@ enum efp_result efp_get_quadrupole_values(struct efp *efp, double *quad); * * \return ::EFP_RESULT_SUCCESS on success or error code otherwise. */ -enum efp_result efp_get_octupole_values(struct efp *efp, double *oct); +//enum efp_result efp_get_octupole_values(struct efp *efp, double *oct); /** * Get the number of polarization induced dipoles from a particular fragment. @@ -1402,6 +1504,14 @@ efp_get_frag_pol_pt(struct efp *efp, size_t frag_idx, size_t pt_idx, enum efp_result save_ai_field_pol_pt(struct efp *efp, struct efp_pol_pt *pol_pt, size_t frag_idx, size_t pt_idx); +/** + * Saves ab initio field into polarizable points + * @param efp + * @param field pointer to the ab initio field + * @return + */ +enum efp_result save_ai_field(struct efp *efp, double *field); + /** * Get electric field for a point on a fragment. * diff --git a/src/elec.c b/src/elec.c index 288a2b5a..53924746 100644 --- a/src/elec.c +++ b/src/elec.c @@ -917,7 +917,15 @@ lj_energy(struct efp *efp, size_t fr_i_idx, size_t fr_j_idx, &force, &vec_zero); efp_add_stress(&swf->dr, &force, &efp->stress); } - + double energy_thresh = 0.1; + if (efp->opts.print > 0) { + if (fabs(energy) > energy_thresh) { + printf("WARNING: MM LJ energy between frag %zu, atom %zu and frag %zu, atom %zu, distance %lf is %lf\n", + fr_i_idx, pt_i_idx, fr_j_idx, pt_j_idx, r, energy); + printf(" Coordinates of atoms %lf, %lf, %lf, and %lf, %lf, %lf\n", + pt_i->x, pt_i->y, pt_i->z, pt_j->x, pt_j->y, pt_j->z); + } + } return energy; } diff --git a/src/mathutil.h b/src/mathutil.h index c4283719..3c613d66 100644 --- a/src/mathutil.h +++ b/src/mathutil.h @@ -371,8 +371,18 @@ matrix_to_euler(const mat_t *rotmat, double *ea, double *eb, double *ec) { double a, b, c, sinb; + if (fabs(rotmat->zz - 1.0) < 1.0e-7) { + b = 0.0; + sinb = 0.0; + } + else if (fabs(rotmat->zz + 1.0) < 1.0e-7) { + b = PI; + sinb = 0.0; + } + else { b = acos(rotmat->zz); sinb = sqrt(1.0 - rotmat->zz * rotmat->zz); + } if (fabs(sinb) < 1.0e-7) { a = atan2(-rotmat->xy, rotmat->xx); diff --git a/src/parse.c b/src/parse.c index 80b8946c..c0ff273c 100644 --- a/src/parse.c +++ b/src/parse.c @@ -222,6 +222,9 @@ parse_monopoles(struct frag *frag, struct stream *stream) counter, frag->n_multipole_pts, frag->name); return EFP_RESULT_SUCCESS; } + + if (i == 0 && frag->multipole_rank < 1) frag->multipole_rank = 0; + struct multipole_pt tmp_pt; memset(&tmp_pt, 0, sizeof(tmp_pt)); if (!tok_label(stream, sizeof(tmp_pt.label), tmp_pt.label) || @@ -271,6 +274,10 @@ parse_dipoles(struct frag *frag, struct stream *stream) counter, frag->n_multipole_pts, frag->name); return EFP_RESULT_SUCCESS; } + + if (i == 0 && frag->multipole_rank < 2) frag->multipole_rank = 1; + if (i == 0) frag->if_mm_frag = false; + struct multipole_pt tmp_pt; memset(&tmp_pt, 0, sizeof(tmp_pt)); if (!tok_label(stream, sizeof(tmp_pt.label), tmp_pt.label) || @@ -332,6 +339,10 @@ parse_quadrupoles(struct frag *frag, struct stream *stream) counter, frag->n_multipole_pts, frag->name); return EFP_RESULT_SUCCESS; } + + if (i == 0 && frag->multipole_rank < 3) frag->multipole_rank = 2; + if (i == 0) frag->if_mm_frag = false; + struct multipole_pt tmp_pt; memset(&tmp_pt, 0, sizeof(tmp_pt)); if (!tok_label(stream, sizeof(tmp_pt.label), tmp_pt.label) || @@ -401,6 +412,10 @@ parse_octupoles(struct frag *frag, struct stream *stream) counter, frag->n_multipole_pts, frag->name); return EFP_RESULT_SUCCESS; } + + if (i == 0) frag->multipole_rank = 3; + if (i == 0) frag->if_mm_frag = false; + struct multipole_pt tmp_pt; memset(&tmp_pt, 0, sizeof(tmp_pt)); @@ -1207,6 +1222,9 @@ parse_screen(struct frag *frag, struct stream *stream) counter, frag->n_multipole_pts, frag->name); return EFP_RESULT_SUCCESS; } + + if (i == 0 && screen_type == 0) frag->if_qm_screen = true; + struct multipole_pt tmp_pt; memset(&tmp_pt, 0, sizeof(tmp_pt)); double tmp_screen; @@ -1565,7 +1583,12 @@ parse_file(struct efp *efp, struct stream *stream) efp->lib[efp->n_lib - 1] = frag; /* default value */ - frag->pol_damp = 0.6; + //frag->pol_damp = 0.6; //commented out for ticket 3416 + frag->pol_damp = efp->opts.pol_damp_tt_value; + + frag->if_mm_frag = true; + frag->if_qm_screen = false; + frag->multipole_rank = -1; efp_stream_next_line(stream); efp_stream_next_line(stream); diff --git a/src/pol.c b/src/pol.c index d1661195..3066d885 100644 --- a/src/pol.c +++ b/src/pol.c @@ -33,7 +33,7 @@ #define POL_SCF_TOL 1.0e-10 #define POL_SCF_MAX_ITER 200 -#define INDIP_PRINT_TRESH 5.0 +#define INDIP_PRINT_TRESH 0.5 double efp_get_pol_damp_tt(double, double, double); enum efp_result efp_compute_id_direct(struct efp *); @@ -820,7 +820,7 @@ compute_energy_range(struct efp *efp, size_t from, size_t to, void *data) } } - if (efp->opts.print > 1 && efp->opts.enable_pairwise) { + if (efp->opts.print > 2 && efp->opts.enable_pairwise) { printf("\n Pairwise analysis from compute_energy_range() follows \n"); print_energies(efp); } @@ -959,7 +959,7 @@ efp_compute_pol_energy(struct efp *efp, double *energy) assert(energy); - // counter to know when to zero out induced dipoles and static field + // counter to know when to zero out induced dipoles and static field // need to be explored further static int counter = 0; @@ -980,7 +980,7 @@ efp_compute_pol_energy(struct efp *efp, double *energy) if (res) return res; - if (efp->opts.print > 1) { + if (efp->opts.print > 3) { for (int i = 0; i < efp->n_frag; i++) { printf("Fragment %d\n", i); for (int j = 0; j < efp->frags[i].n_polarizable_pts; j++) { @@ -1023,6 +1023,15 @@ efp_compute_pol_correction(struct efp *efp, double *energy) if (res) return res; + if (efp->opts.print > 3) { + for (int i = 0; i < efp->n_frag; i++) { + printf("Fragment %d\n", i); + for (int j = 0; j < efp->frags[i].n_polarizable_pts; j++) { + print_pol_pt(efp, i, j); + } + } + } + *energy = 0.0; efp_balance_work(efp, compute_energy_correction_range, energy); efp_allreduce(energy, 1); @@ -1050,7 +1059,7 @@ efp_compute_pol_energy_crystal(struct efp *efp, double *energy) if ((res = efp_compute_id_iterative(efp))) return res; - if (efp->opts.print > 1) { + if (efp->opts.print > 3) { for (int i = 0; i < efp->n_frag; i++) { printf("Fragment %d\n", i); for (int j = 0; j < efp->frags[i].n_polarizable_pts; j++) { diff --git a/src/private.h b/src/private.h index a5a42dd8..0e4a6d08 100644 --- a/src/private.h +++ b/src/private.h @@ -188,6 +188,14 @@ struct frag { /* offset of polarizable points for this fragment */ size_t polarizable_offset; + /* multipolar rank of the fragment */ + int multipole_rank; + + /* if fragment has QM-EFP electrostatic screening */ + bool if_qm_screen; + + /* if classical (partial charges only and no QM-EFP screening) fragment */ + bool if_mm_frag; }; /* structure derived from struct frag for describing ligand */ diff --git a/tests/elec_test.in b/tests/elec_test.in new file mode 100644 index 00000000..9ea08555 --- /dev/null +++ b/tests/elec_test.in @@ -0,0 +1,43 @@ +run_type etest +ref_energy -0.0039531505 +coord points +terms elec +elec_damp screen +fraglib_path ../fraglib + +fragment h2o_l + -3.394 -1.900 -3.700 + -3.524 -1.089 -3.147 + -2.544 -2.340 -3.445 +fragment nh3_l + -5.515 1.083 0.968 + -5.161 0.130 0.813 + -4.833 1.766 0.609 +fragment nh3_l + 1.848 0.114 0.130 + 1.966 0.674 -0.726 + 0.909 0.273 0.517 +fragment nh3_l + -1.111 -0.084 -4.017 + -1.941 0.488 -3.813 + -0.292 0.525 -4.138 +fragment ch3oh_l + -2.056 0.767 -0.301 + -2.999 -0.274 -0.551 + -1.201 0.360 0.258 +fragment h2o_l + -0.126 -2.228 -0.815 + 0.310 -2.476 0.037 + 0.053 -1.277 -1.011 +fragment h2o_l + -1.850 1.697 3.172 + -1.050 1.592 2.599 + -2.666 1.643 2.614 +fragment ch3oh_l + 1.275 -2.447 -4.673 + 0.709 -3.191 -3.592 + 2.213 -1.978 -4.343 +fragment h2o_l + -5.773 -1.738 -0.926 + -5.017 -1.960 -1.522 + -5.469 -1.766 0.014 diff --git a/tests/polab_0.in b/tests/polab_0.in new file mode 100644 index 00000000..184b6b54 --- /dev/null +++ b/tests/polab_0.in @@ -0,0 +1,12 @@ +run_type gtest +ref_energy 0.0059339912 +gtest_tol 5.0e-6 +pol_damp tt +coord xyzabc +fraglib_path ../fraglib + +fragment h2o_l + 0.0 0.0 0.0 1.0 2.0 3.0 + +fragment nh3_l + 3.0 0.0 0.0 5.0 2.0 8.0 diff --git a/tests/polab_1.in b/tests/polab_1.in new file mode 100644 index 00000000..aa2e5942 --- /dev/null +++ b/tests/polab_1.in @@ -0,0 +1,12 @@ +run_type gtest +ref_energy 0.0060016214 +gtest_tol 5.0e-6 +pol_damp tt +coord xyzabc +fraglib_path ../fraglib + +fragment h2o_polab_l + 0.0 0.0 0.0 1.0 2.0 3.0 + +fragment nh3_l + 3.0 0.0 0.0 5.0 2.0 8.0 diff --git a/tests/symm_2pw.out.2 b/tests/symm_2pw.out.2 deleted file mode 100644 index d50eaf85..00000000 --- a/tests/symm_2pw.out.2 +++ /dev/null @@ -1,65658 +0,0 @@ -EFPMD ver. 1.7.2 -Copyright (c) 2012-2017 Ilya Kaliman - -LIBEFP ver. 1.7.2 -Copyright (c) 2012-2017 Ilya Kaliman - 2018-2022 Lyudmila Slipchenko - -Journal References: - - Kaliman and Slipchenko, JCC 2013. - DOI: http://dx.doi.org/10.1002/jcc.23375 - - Kaliman and Slipchenko, JCC 2015. - DOI: http://dx.doi.org/10.1002/jcc.23772 - -Project web site: https://github.com/libefp2/libefp/ - -RUNNING 1 MPI PROCESSES WITH 8 OPENMP THREADS EACH -WALL CLOCK TIME IS Thu Jun 16 15:17:14 2022 - -SIMULATION SETTINGS - -run_type sp -coord points -terms elec pol disp xr -elec_damp screen -disp_damp tt -pol_damp tt -pol_driver iterative -enable_ff false -enable_multistep false -ff_geometry ff.xyz -ff_parameters /Users/lyuda/LIBEFP//share/libefp/fraglib/params/amber99.prm -single_params_file false -efp_params_file params.efp -enable_cutoff true -swf_cutoff 11 -xr_cutoff 0 -max_steps 100 -multistep_steps 1 -fraglib_path /Users/lyuda/LIBEFP//share/libefp/fraglib -userlib_path ./ -enable_pbc true -periodic_box 24.0048 27.0356 25.7166 90.0 109.424 90.0 -opt_tol 0.0001 -gtest_tol 1e-06 -ref_energy -2.46943 -hess_central false -num_step_dist 0.001 -num_step_angle 0.01 -ensemble nve -time_step 1 -print_step 1 -velocitize false -temperature 300 -pressure 1 -thermostat_tau 1000 -barostat_tau 10000 -ligand 0 -enable_pairwise true -print_pbc false -symmetry true -symm_frag frag -update_params 0 -update_params_cutoff 0 -print 2 - - -xr_cutoff is set to 11.000000 - -SINGLE POINT ENERGY JOB - - - GEOMETRY (ANGSTROMS) - -A01S -6.509027 -0.703872 4.315925 -A02C -5.527225 0.739221 4.530684 -A03C -6.037509 2.064371 4.568640 -A04S -7.763887 2.454224 4.374495 -A05C -8.204440 1.209911 3.186103 -A06C -7.690404 -0.057721 3.155545 -A07C -8.088167 -0.983352 2.158266 -A08N -8.415068 -1.769277 1.354524 -A09C -9.181118 1.610511 2.243393 -A10N -10.030494 1.933586 1.507075 -A11N -5.177090 3.041573 4.778064 -A12S -3.653588 2.410224 5.000220 -A13C -4.154616 0.757673 4.736227 -A14C -3.264318 -0.329564 4.729194 -A15N -2.519451 -1.230593 4.697544 -A01S -1.630227 -4.083322 1.747300 -A02C -2.612029 -2.640229 1.532541 -A03C -2.101745 -1.315079 1.494585 -A04S -0.375367 -0.925226 1.688730 -A05C 0.065186 -2.169539 2.877122 -A06C -0.448850 -3.437171 2.907680 -A07C -0.051087 -4.362802 3.904959 -A08N 0.275814 -5.148727 4.708701 -A09C 1.041864 -1.768939 3.819832 -A10N 1.891240 -1.445864 4.556150 -A11N -2.962164 -0.337877 1.285161 -A12S -4.485666 -0.969226 1.063005 -A13C -3.984638 -2.621777 1.326998 -A14C -4.874936 -3.709014 1.334031 -A15N -5.619803 -4.610043 1.365681 -A01S 6.509027 0.703872 -4.315925 -A02C 5.527225 -0.739221 -4.530684 -A03C 6.037509 -2.064371 -4.568640 -A04S 7.763887 -2.454224 -4.374495 -A05C 8.204440 -1.209911 -3.186103 -A06C 7.690404 0.057721 -3.155545 -A07C 8.088167 0.983352 -2.158266 -A08N 8.415068 1.769277 -1.354524 -A09C 9.181118 -1.610511 -2.243393 -A10N 10.030494 -1.933586 -1.507075 -A11N 5.177090 -3.041573 -4.778064 -A12S 3.653588 -2.410224 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14.284716 -A08N -0.688775 11.748523 13.480974 -A09C -1.454825 15.128311 14.369843 -A10N -2.304201 15.451386 13.633525 -A11N 2.549203 16.559373 16.904514 -A12S 4.072705 15.928024 17.126670 -A13C 3.571677 14.275473 16.862677 -A14C 4.461975 13.188236 16.855644 -A15N 5.206842 12.287207 16.823994 -A01S 6.096066 9.434478 13.873750 -A02C 5.114264 10.877571 13.658991 -A03C 5.624548 12.202721 13.621035 -A04S 7.350926 12.592574 13.815180 -A05C 7.791479 11.348261 15.003572 -A06C 7.277443 10.080629 15.034130 -A07C 7.675206 9.154998 16.031409 -A08N 8.002107 8.369073 16.835151 -A09C 8.768157 11.748861 15.946282 -A10N 9.617533 12.071936 16.682600 -A11N 4.764129 13.179923 13.411611 -A12S 3.240627 12.548574 13.189455 -A13C 3.741655 10.896023 13.453448 -A14C 2.851357 9.808786 13.460481 -A15N 2.106490 8.907757 13.492131 -A01S 14.235319 14.221672 7.810525 -A02C 13.253518 12.778579 7.595766 -A03C 13.763802 11.453429 7.557810 -A04S 15.490180 11.063577 7.751955 -A05C 15.930733 12.307890 8.940347 -A06C 15.416696 13.575522 8.970905 -A07C 15.814458 14.501153 9.968184 -A08N 16.141359 15.287078 10.771926 -A09C 16.907410 11.907291 9.883058 -A10N 17.756786 11.584216 10.619376 -A11N 12.903384 10.476227 7.348386 -A12S 11.379882 11.107575 7.126230 -A13C 11.880909 12.760126 7.390223 -A14C 10.990610 13.847363 7.397255 -A15N 10.245743 14.748391 7.428905 -A01S 9.356520 17.601122 10.379150 -A02C 10.338321 16.158029 10.593909 -A03C 9.828037 14.832879 10.631865 -A04S 8.101659 14.443027 10.437720 -A05C 7.661106 15.687340 9.249328 -A06C 8.175143 16.954972 9.218770 -A07C 7.777381 17.880603 8.221491 -A08N 7.450480 18.666528 7.417749 -A09C 6.684429 15.286741 8.306617 -A10N 5.835053 14.963666 7.570299 -A11N 10.688455 13.855677 10.841289 -A12S 12.211957 14.487025 11.063445 -A13C 11.710930 16.139576 10.799452 -A14C 12.601229 17.226813 10.792420 -A15N 13.346096 18.127841 10.760770 -A01S 5.493373 19.572828 4.315925 -A02C 6.475175 21.015921 4.530684 -A03C 5.964891 22.341071 4.568640 -A04S 4.238513 22.730924 4.374495 -A05C 3.797960 21.486611 3.186103 -A06C 4.311996 20.218979 3.155545 -A07C 3.914233 19.293348 2.158266 -A08N 3.587332 18.507423 1.354524 -A09C 2.821282 21.887211 2.243393 -A10N 1.971906 22.210286 1.507075 -A11N 6.825310 23.318273 4.778064 -A12S 8.348812 22.686924 5.000220 -A13C 7.847784 21.034373 4.736227 -A14C 8.738082 19.947136 4.729194 -A15N 9.482949 19.046107 4.697544 -A01S 10.372173 16.193378 1.747300 -A02C 9.390371 17.636471 1.532541 -A03C 9.900655 18.961621 1.494585 -A04S 11.627033 19.351474 1.688730 -A05C 12.067586 18.107161 2.877122 -A06C 11.553550 16.839529 2.907680 -A07C 11.951313 15.913898 3.904959 -A08N 12.278214 15.127973 4.708701 -A09C 13.044264 18.507761 3.819832 -A10N 13.893640 18.830836 4.556150 -A11N 9.040236 19.938823 1.285161 -A12S 7.516734 19.307474 1.063005 -A13C 8.017762 17.654923 1.326998 -A14C 7.127464 16.567686 1.334031 -A15N 6.382597 15.666657 1.365681 -A01S 18.511427 20.980572 -4.315925 -A02C 17.529625 19.537479 -4.530684 -A03C 18.039909 18.212329 -4.568640 -A04S 19.766287 17.822476 -4.374495 -A05C 20.206840 19.066789 -3.186103 -A06C 19.692804 20.334421 -3.155545 -A07C 20.090567 21.260052 -2.158266 -A08N 20.417468 22.045977 -1.354524 -A09C 21.183518 18.666189 -2.243393 -A10N 22.032894 18.343114 -1.507075 -A11N 17.179490 17.235127 -4.778064 -A12S 15.655988 17.866476 -5.000220 -A13C 16.157016 19.519027 -4.736227 -A14C 15.266718 20.606264 -4.729194 -A15N 14.521851 21.507293 -4.697544 -A01S 13.632627 24.360022 -1.747300 -A02C 14.614429 22.916929 -1.532541 -A03C 14.104145 21.591779 -1.494585 -A04S 12.377767 21.201926 -1.688730 -A05C 11.937214 22.446239 -2.877122 -A06C 12.451250 23.713871 -2.907680 -A07C 12.053487 24.639502 -3.904959 -A08N 11.726586 25.425427 -4.708701 -A09C 10.960536 22.045639 -3.819832 -A10N 10.111160 21.722564 -4.556150 -A11N 14.964564 20.614577 -1.285161 -A12S 16.488066 21.245926 -1.063005 -A13C 15.987038 22.898477 -1.326998 -A14C 16.877336 23.985714 -1.334031 -A15N 17.622203 24.886743 -1.365681 -A01S 1.217266 19.572828 16.442375 -A02C 2.199068 21.015921 16.657134 -A03C 1.688784 22.341071 16.695090 -A04S -0.037594 22.730924 16.500945 -A05C -0.478147 21.486611 15.312553 -A06C 0.035889 20.218979 15.281995 -A07C -0.361874 19.293348 14.284716 -A08N -0.688775 18.507423 13.480974 -A09C -1.454825 21.887211 14.369843 -A10N -2.304201 22.210286 13.633525 -A11N 2.549203 23.318273 16.904514 -A12S 4.072705 22.686924 17.126670 -A13C 3.571677 21.034373 16.862677 -A14C 4.461975 19.947136 16.855644 -A15N 5.206842 19.046107 16.823994 -A01S 6.096066 16.193378 13.873750 -A02C 5.114264 17.636471 13.658991 -A03C 5.624548 18.961621 13.621035 -A04S 7.350926 19.351474 13.815180 -A05C 7.791479 18.107161 15.003572 -A06C 7.277443 16.839529 15.034130 -A07C 7.675206 15.913898 16.031409 -A08N 8.002107 15.127973 16.835151 -A09C 8.768157 18.507761 15.946282 -A10N 9.617533 18.830836 16.682600 -A11N 4.764129 19.938823 13.411611 -A12S 3.240627 19.307474 13.189455 -A13C 3.741655 17.654923 13.453448 -A14C 2.851357 16.567686 13.460481 -A15N 2.106490 15.666657 13.492131 -A01S 14.235319 20.980572 7.810525 -A02C 13.253518 19.537479 7.595766 -A03C 13.763802 18.212329 7.557810 -A04S 15.490180 17.822477 7.751955 -A05C 15.930733 19.066790 8.940347 -A06C 15.416696 20.334422 8.970905 -A07C 15.814458 21.260053 9.968184 -A08N 16.141359 22.045978 10.771926 -A09C 16.907410 18.666191 9.883058 -A10N 17.756786 18.343116 10.619376 -A11N 12.903384 17.235127 7.348386 -A12S 11.379882 17.866475 7.126230 -A13C 11.880909 19.519026 7.390223 -A14C 10.990610 20.606263 7.397255 -A15N 10.245743 21.507291 7.428905 -A01S 9.356520 24.360022 10.379150 -A02C 10.338321 22.916929 10.593909 -A03C 9.828037 21.591779 10.631865 -A04S 8.101659 21.201927 10.437720 -A05C 7.661106 22.446240 9.249328 -A06C 8.175143 23.713872 9.218770 -A07C 7.777381 24.639503 8.221491 -A08N 7.450480 25.425428 7.417749 -A09C 6.684429 22.045641 8.306617 -A10N 5.835053 21.722566 7.570299 -A11N 10.688455 20.614577 10.841289 -A12S 12.211957 21.245925 11.063445 -A13C 11.710930 22.898476 10.799452 -A14C 12.601229 23.985713 10.792420 -A15N 13.346096 24.886741 10.760770 - - -Fragment XXII_exp_N2_1_L - Atom A01S -12.300278 -1.330125 8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C -10.444942 1.396925 8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C -11.409239 3.901095 8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S -14.671620 4.637811 8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C -15.504144 2.286400 6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C -14.532757 -0.109077 5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C -15.284420 -1.858266 4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N -15.902174 -3.343449 2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C -17.349798 3.043424 4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N -18.954886 3.653948 2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N -9.783282 5.747739 9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S -6.904281 4.554663 9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C -7.851087 1.431794 8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C -6.168667 -0.622786 8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N -4.761073 -2.325484 8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -12.300278 -1.330125 8.155916 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -10.444942 1.396925 8.561752 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -11.409239 3.901095 8.633478 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -14.671620 4.637811 8.266597 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -15.504144 2.286400 6.020862 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -14.532757 -0.109077 5.963116 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -15.284420 -1.858266 4.078532 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -15.902174 -3.343449 2.559680 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -17.349798 3.043424 4.239399 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -18.954886 3.653948 2.847959 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -9.783282 5.747739 9.029232 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -6.904281 4.554663 9.449046 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -7.851087 1.431794 8.950172 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -6.168667 -0.622786 8.936881 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -4.761073 -2.325484 8.877072 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -11.372610 0.033400 8.358834 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -10.927090 2.649010 8.597615 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -13.040429 4.269453 8.450038 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -15.087882 3.462105 7.143730 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -13.416518 -0.719601 7.059516 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -15.018451 1.088662 5.991989 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -14.908589 -0.983671 5.020824 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -15.593297 -2.600857 3.319106 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -16.426971 2.664912 5.130130 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -18.152342 3.348686 3.543679 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -10.596260 4.824417 8.831355 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -8.343782 5.151201 9.239139 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -9.148014 1.414360 8.755962 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -7.377684 2.993229 9.199609 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -7.009877 0.404504 8.943527 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -5.464870 -1.474135 8.906976 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -11.016969 2.599261 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -18.521619 2.944467 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.746409 -1.764403 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -16.153618 -2.579263 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.487096 0.880237 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.358728 4.885969 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.515775 4.722878 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.326355 0.145353 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.954796 4.209593 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.439681 2.687667 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.977683 0.386808 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.916141 -1.009688 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.283615 1.392603 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.341642 2.827740 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.087400 3.349220 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.080867 1.508206 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.481969 -0.637174 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.589093 1.263009 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.328854 -2.848026 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.444616 3.842599 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.090221 -3.797662 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.607879 5.183033 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.849258 6.396648 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.050888 4.288729 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.584314 -1.596696 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.818187 3.218967 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.792784 -1.357463 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.188304 3.897331 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.248292 -3.027089 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.000590 -1.150117 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.773264 -1.946686 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.725003 5.450007 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.863948 4.529718 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.544201 4.784860 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.418827 -2.255167 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Ligand index 0 - -Fragment XXII_exp_N2_1_L - Atom A01S -3.080683 -7.716360 3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C -4.936019 -4.989310 2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C -3.971722 -2.485140 2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S -0.709341 -1.748424 3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 0.123183 -4.099835 5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C -0.848204 -6.495312 5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C -0.096541 -8.244501 7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 0.521213 -9.729684 8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 1.968837 -3.342811 7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 3.573925 -2.732287 8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N -5.597679 -0.638496 2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S -8.476680 -1.831572 2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C -7.529874 -4.954441 2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C -9.212293 -7.009021 2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N -10.619888 -8.711719 2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -3.080683 -7.716360 3.301918 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -4.936019 -4.989310 2.896083 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -3.971722 -2.485140 2.824356 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -0.709341 -1.748424 3.191237 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 0.123183 -4.099835 5.436972 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -0.848204 -6.495312 5.494719 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -0.096541 -8.244501 7.379303 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 0.521213 -9.729684 8.898155 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 1.968837 -3.342811 7.218436 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 3.573925 -2.732287 8.609875 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -5.597679 -0.638496 2.428602 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -8.476680 -1.831572 2.008788 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -7.529874 -4.954441 2.507663 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -9.212293 -7.009021 2.520953 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -10.619888 -8.711719 2.580763 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -4.008351 -6.352835 3.099001 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -4.453871 -3.737225 2.860220 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -2.340532 -2.116782 3.007797 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -0.293079 -2.924129 4.314105 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -1.964443 -7.105836 4.398319 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -0.362510 -5.297573 5.465846 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -0.472372 -7.369906 6.437011 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 0.212336 -8.987092 8.138729 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 1.046010 -3.721323 6.327704 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 2.771381 -3.037549 7.914156 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -4.784700 -1.561818 2.626479 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -7.037179 -1.235034 2.218695 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -6.232947 -4.971875 2.701873 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -8.003277 -3.393006 2.258226 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -8.371084 -5.981731 2.514308 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -9.916091 -7.860370 2.550858 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -4.363992 -3.786974 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 3.140658 -3.441768 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.634552 -8.150638 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 0.772657 -8.965498 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.106135 -5.505998 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.022233 -1.500266 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.865186 -1.663357 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.054606 -6.240882 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.426164 -2.176641 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.058720 -3.698568 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.403278 -5.999427 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.464819 -7.395923 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.097346 -4.993632 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.039319 -3.558495 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.293561 -3.037015 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.300094 -4.878029 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.898992 -7.023409 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.791868 -5.123226 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.052107 -9.234261 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.063655 -2.543636 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.709261 -10.183897 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.773082 -1.203202 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.531703 0.010413 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.330072 -2.097506 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.796647 -7.982931 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.437226 -3.167268 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.588177 -7.743698 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.807343 -2.488904 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.132669 -9.413324 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.380371 -7.536352 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.607697 -8.332921 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.655958 -0.936228 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.517013 -1.856517 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.836760 -1.601375 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.037866 -8.641402 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 12.300278 1.330125 -8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 10.444942 -1.396925 -8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 11.409239 -3.901095 -8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 14.671620 -4.637811 -8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 15.504144 -2.286400 -6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 14.532757 0.109077 -5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 15.284420 1.858266 -4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 15.902174 3.343449 -2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 17.349798 -3.043424 -4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 18.954886 -3.653948 -2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 9.783282 -5.747739 -9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 6.904281 -4.554663 -9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.851087 -1.431794 -8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 6.168667 0.622786 -8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 4.761073 2.325484 -8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 12.300278 1.330125 -8.155916 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole -0.081100 -0.120946 0.015291 0.151351 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 10.444942 -1.396925 -8.561752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081135 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 11.409239 -3.901095 -8.633478 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 14.671620 -4.637811 -8.266597 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole 0.376726 0.162146 0.007751 -0.064505 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 15.504144 -2.286400 -6.020862 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 14.532757 0.109077 -5.963116 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160108 -0.001747 -0.175099 0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 15.284420 1.858266 -4.078532 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 15.902174 3.343449 -2.559680 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 17.349798 -3.043424 -4.239399 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049997 0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 18.954886 -3.653948 -2.847959 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 9.783282 -5.747739 -9.029232 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 6.904281 -4.554663 -9.449046 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079017 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.851087 -1.431794 -8.950172 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033077 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 6.168667 0.622786 -8.936881 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 4.761073 2.325484 -8.877072 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 11.372610 -0.033400 -8.358834 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064489 -0.081833 0.097858 0.020810 0.250721 0.061022 -0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 10.927090 -2.649010 -8.597615 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole -0.006937 -0.415001 -0.020564 0.384074 0.195901 -0.173547 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 13.040429 -4.269453 -8.450038 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032096 0.067519 -0.068455 0.111862 -0.234599 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 15.087882 -3.462105 -7.143730 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole 0.128236 0.066192 0.098878 0.110011 0.100435 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 13.416518 0.719601 -7.059516 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150222 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 15.018451 -1.088662 -5.991989 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301575 0.166371 0.195836 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 14.908589 0.983671 -5.020824 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227647 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 15.593297 2.600857 -3.319106 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 16.426971 -2.664912 -5.130130 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 18.152342 -3.348686 -3.543679 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 10.596260 -4.824417 -8.831355 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 8.343782 -5.151201 -9.239139 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017861 0.101437 -0.090246 -0.034757 -0.166574 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 9.148014 -1.414360 -8.755962 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254353 -0.246051 0.014826 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 7.377684 -2.993229 -9.199609 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 7.009877 -0.404504 -8.943527 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027862 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 5.464870 1.474135 -8.906976 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084793 -0.000751 0.009942 -0.105319 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 10.544201 -4.784860 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 18.188304 -3.897331 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.746327 1.764335 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 15.248291 3.027089 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.439681 -2.687667 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.977683 -0.386808 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.607879 -5.183033 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.326355 -0.145353 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.954796 -4.209593 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.916141 1.009688 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.016969 -2.599261 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.589093 -1.263009 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.080866 -1.508206 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.341642 -2.827740 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.481969 0.637174 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.283615 -1.392603 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.087400 -3.349220 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.487096 -0.880237 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.328854 2.848026 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.444616 -3.842599 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.090221 3.797662 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.863949 -4.529717 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.725003 -5.450007 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.849258 -6.396648 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.000566 1.150095 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.521619 -2.944467 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.773264 1.946686 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.818187 -3.218967 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.418828 2.255166 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.584419 1.596786 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.792784 1.357463 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.050888 -4.288728 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.515774 -4.722878 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.358728 -4.885969 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.153617 2.579264 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 3.080683 7.716360 -3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 4.936019 4.989310 -2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.971722 2.485140 -2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 0.709341 1.748424 -3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C -0.123183 4.099835 -5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 0.848204 6.495312 -5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 0.096541 8.244501 -7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N -0.521213 9.729684 -8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C -1.968837 3.342811 -7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N -3.573925 2.732287 -8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 5.597679 0.638496 -2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 8.476680 1.831572 -2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.529874 4.954441 -2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 9.212293 7.009021 -2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 10.619888 8.711719 -2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 3.080683 7.716360 -3.301918 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole 0.081100 -0.120946 -0.015291 0.151351 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 4.936019 4.989310 -2.896083 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081135 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 3.971722 2.485140 -2.824356 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 0.709341 1.748424 -3.191237 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole -0.376726 0.162146 -0.007751 -0.064505 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -0.123183 4.099835 -5.436972 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 0.848204 6.495312 -5.494719 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160108 0.001747 0.175099 -0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 0.096541 8.244501 -7.379303 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -0.521213 9.729684 -8.898155 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -1.968837 3.342811 -7.218436 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049997 -0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -3.573925 2.732287 -8.609875 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 5.597679 0.638496 -2.428602 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 8.476680 1.831572 -2.008788 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079017 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.529874 4.954441 -2.507663 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033077 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 9.212293 7.009021 -2.520953 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 10.619888 8.711719 -2.580763 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 4.008351 6.352835 -3.099001 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064489 0.081833 0.097858 -0.020810 -0.250721 -0.061022 0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 4.453871 3.737225 -2.860220 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole 0.006937 -0.415001 0.020564 0.384074 -0.195901 0.173547 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 2.340532 2.116782 -3.007797 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032096 -0.067519 -0.068455 -0.111862 0.234599 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 0.293079 2.924129 -4.314105 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole -0.128236 0.066192 -0.098878 0.110011 -0.100435 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 1.964443 7.105836 -4.398319 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150222 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 0.362510 5.297573 -5.465846 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301575 -0.166371 -0.195836 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 0.472372 7.369906 -6.437011 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227647 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -0.212336 8.987092 -8.138729 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -1.046010 3.721323 -6.327704 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -2.771381 3.037549 -7.914156 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 4.784700 1.561818 -2.626479 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 7.037179 1.235034 -2.218695 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017861 -0.101437 -0.090246 0.034757 0.166574 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 6.232947 4.971875 -2.701873 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254353 0.246051 0.014826 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 8.003277 3.393006 -2.258226 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 8.371084 5.981731 -2.514308 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027862 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 9.916091 7.860370 -2.550858 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084793 -0.000751 -0.009942 -0.105319 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 4.836760 1.601375 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -2.807344 2.488904 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.634633 8.150570 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 0.132670 9.413324 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.058720 3.698568 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.403278 5.999427 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.773082 1.203202 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.054606 6.240882 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.426164 2.176641 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.464819 7.395923 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.363992 3.786974 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.791868 5.123226 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.300094 4.878029 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.039319 3.558495 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.898992 7.023409 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.097346 4.993632 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.293561 3.037015 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.106135 5.505998 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.052107 9.234261 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.063655 2.543636 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.709261 10.183897 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.517012 1.856518 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.655958 0.936228 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.531703 -0.010413 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.380395 7.536330 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.140658 3.441768 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.607697 8.332921 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.437226 3.167268 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.037867 8.641401 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.796542 7.983021 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.588177 7.743698 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.330072 2.097506 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.865186 1.663357 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.022233 1.500266 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.772656 8.965499 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -20.380949 -1.330125 31.071586 - znuc, mass 16.000000 31.972070 - - Atom A02C -18.525613 1.396925 31.477421 - znuc, mass 6.000000 12.000000 - - Atom A03C -19.489910 3.901095 31.549148 - znuc, mass 6.000000 12.000000 - - Atom A04S -22.752291 4.637811 31.182267 - znuc, mass 16.000000 31.972070 - - Atom A05C -23.584815 2.286400 28.936532 - znuc, mass 6.000000 12.000000 - - Atom A06C -22.613428 -0.109077 28.878785 - znuc, mass 6.000000 12.000000 - - Atom A07C -23.365091 -1.858266 26.994201 - znuc, mass 6.000000 12.000000 - - Atom A08N -23.982845 -3.343449 25.475349 - znuc, mass 7.000000 14.003070 - - Atom A09C -25.430469 3.043424 27.155068 - znuc, mass 6.000000 12.000000 - - Atom A10N -27.035557 3.653948 25.763629 - znuc, mass 7.000000 14.003070 - - Atom A11N -17.863954 5.747739 31.944902 - znuc, mass 7.000000 14.003070 - - Atom A12S -14.984952 4.554663 32.364716 - znuc, mass 16.000000 31.972070 - - Atom A13C -15.931758 1.431794 31.865841 - znuc, mass 6.000000 12.000000 - - Atom A14C -14.249339 -0.622786 31.852551 - znuc, mass 6.000000 12.000000 - - Atom A15N -12.841744 -2.325484 31.792741 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -20.380949 -1.330125 31.071586 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -18.525613 1.396925 31.477421 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -19.489910 3.901095 31.549148 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -22.752291 4.637811 31.182267 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -23.584815 2.286400 28.936532 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -22.613428 -0.109077 28.878785 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -23.365091 -1.858266 26.994201 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -23.982845 -3.343449 25.475349 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -25.430469 3.043424 27.155068 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -27.035557 3.653948 25.763629 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -17.863954 5.747739 31.944902 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -14.984952 4.554663 32.364716 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -15.931758 1.431794 31.865841 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -14.249339 -0.622786 31.852551 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -12.841744 -2.325484 31.792741 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -19.453281 0.033400 31.274503 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -19.007761 2.649010 31.513284 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -21.121100 4.269453 31.365707 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -23.168553 3.462105 30.059399 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -21.497189 -0.719601 29.975185 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -23.099122 1.088662 28.907658 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -22.989260 -0.983671 27.936493 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -23.673968 -2.600857 26.234775 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -24.507642 2.664912 28.045800 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -26.233013 3.348686 26.459348 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -18.676932 4.824417 31.747025 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -16.424453 5.151201 32.154809 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -17.228685 1.414360 31.671631 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -15.458355 2.993229 32.115278 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -15.090548 0.404504 31.859196 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -13.545541 -1.474135 31.822646 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -19.097640 2.599261 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -26.602290 2.944467 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.827080 -1.764403 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -24.234289 -2.579263 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.567767 0.880237 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.439399 4.885969 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.596446 4.722878 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.407026 0.145353 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.035468 4.209593 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.520352 2.687667 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.058354 0.386808 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.996813 -1.009688 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.364286 1.392603 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.422313 2.827740 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.168071 3.349220 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.161538 1.508206 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.562640 -0.637174 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.669764 1.263009 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.409525 -2.848026 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -27.525287 3.842599 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.170893 -3.797662 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.688550 5.183033 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.929929 6.396648 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.131560 4.288729 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.664985 -1.596696 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -25.898858 3.218967 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -20.873455 -1.357463 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.268976 3.897331 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.328963 -3.027089 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.081261 -1.150117 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.853935 -1.946686 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.805674 5.450007 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.944619 4.529718 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.624872 4.784860 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.499498 -2.255167 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -11.161354 -7.716360 26.217588 - znuc, mass 16.000000 31.972070 - - Atom A02C -13.016690 -4.989310 25.811752 - znuc, mass 6.000000 12.000000 - - Atom A03C -12.052393 -2.485140 25.740026 - znuc, mass 6.000000 12.000000 - - Atom A04S -8.790012 -1.748424 26.106907 - znuc, mass 16.000000 31.972070 - - Atom A05C -7.957488 -4.099835 28.352642 - znuc, mass 6.000000 12.000000 - - Atom A06C -8.928875 -6.495312 28.410388 - znuc, mass 6.000000 12.000000 - - Atom A07C -8.177212 -8.244501 30.294972 - znuc, mass 6.000000 12.000000 - - Atom A08N -7.559458 -9.729684 31.813824 - znuc, mass 7.000000 14.003070 - - Atom A09C -6.111834 -3.342811 30.134105 - znuc, mass 6.000000 12.000000 - - Atom A10N -4.506746 -2.732287 31.525545 - znuc, mass 7.000000 14.003070 - - Atom A11N -13.678350 -0.638496 25.344272 - znuc, mass 7.000000 14.003070 - - Atom A12S -16.557351 -1.831572 24.924458 - znuc, mass 16.000000 31.972070 - - Atom A13C -15.610545 -4.954441 25.423332 - znuc, mass 6.000000 12.000000 - - Atom A14C -17.292965 -7.009021 25.436623 - znuc, mass 6.000000 12.000000 - - Atom A15N -18.700559 -8.711719 25.496432 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -11.161354 -7.716360 26.217588 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -13.016690 -4.989310 25.811752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -12.052393 -2.485140 25.740026 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -8.790012 -1.748424 26.106907 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -7.957488 -4.099835 28.352642 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -8.928875 -6.495312 28.410388 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -8.177212 -8.244501 30.294972 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -7.559458 -9.729684 31.813824 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -6.111834 -3.342811 30.134105 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -4.506746 -2.732287 31.525545 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -13.678350 -0.638496 25.344272 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -16.557351 -1.831572 24.924458 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -15.610545 -4.954441 25.423332 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -17.292965 -7.009021 25.436623 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -18.700559 -8.711719 25.496432 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -12.089022 -6.352835 26.014670 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -12.534542 -3.737225 25.775889 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -10.421203 -2.116782 25.923466 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -8.373750 -2.924129 27.229774 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -10.045114 -7.105836 27.313988 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -8.443181 -5.297573 28.381515 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -8.553043 -7.369906 29.352680 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -7.868335 -8.987092 31.054398 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -7.034661 -3.721323 29.243374 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -5.309290 -3.037549 30.829825 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -12.865372 -1.561818 25.542149 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -15.117850 -1.235034 25.134365 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -14.313618 -4.971875 25.617542 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -16.083948 -3.393006 25.173895 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -16.451755 -5.981731 25.429977 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -17.996762 -7.860370 25.466528 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -12.444663 -3.786974 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -4.940013 -3.441768 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.715223 -8.150638 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -7.308014 -8.965498 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.974536 -5.505998 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.102904 -1.500266 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.945857 -1.663357 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.135277 -6.240882 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.506836 -2.176641 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.021951 -3.698568 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.483949 -5.999427 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.545491 -7.395923 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.178017 -4.993632 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.119990 -3.558495 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.374232 -3.037015 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.380765 -4.878029 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.979663 -7.023409 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.872539 -5.123226 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.132779 -9.234261 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.017016 -2.543636 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.371411 -10.183897 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.853753 -1.203202 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.612374 0.010413 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.410744 -2.097506 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.877318 -7.982931 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.643445 -3.167268 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.668848 -7.743698 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.273328 -2.488904 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.213340 -9.413324 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.461042 -7.536352 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.688368 -8.332921 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.736629 -0.936228 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.597684 -1.856517 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.917431 -1.601375 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.042805 -8.641402 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 4.219605 1.330125 14.759753 - znuc, mass 16.000000 31.972070 - - Atom A02C 2.364270 -1.396926 14.353917 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.328568 -3.901096 14.282191 - znuc, mass 6.000000 12.000000 - - Atom A04S 6.590950 -4.637810 14.649073 - znuc, mass 16.000000 31.972070 - - Atom A05C 7.423473 -2.286399 16.894808 - znuc, mass 6.000000 12.000000 - - Atom A06C 6.452084 0.109078 16.952554 - znuc, mass 6.000000 12.000000 - - Atom A07C 7.203746 1.858268 18.837138 - znuc, mass 6.000000 12.000000 - - Atom A08N 7.821499 3.343451 20.355990 - znuc, mass 7.000000 14.003070 - - Atom A09C 9.269126 -3.043422 18.676272 - znuc, mass 6.000000 12.000000 - - Atom A10N 10.874214 -3.653944 20.067712 - znuc, mass 7.000000 14.003070 - - Atom A11N 1.702613 -5.747741 13.886437 - znuc, mass 7.000000 14.003070 - - Atom A12S -1.176389 -4.554665 13.466623 - znuc, mass 16.000000 31.972070 - - Atom A13C -0.229585 -1.431796 13.965497 - znuc, mass 6.000000 12.000000 - - Atom A14C -1.912005 0.622783 13.978787 - znuc, mass 6.000000 12.000000 - - Atom A15N -3.319600 2.325480 14.038596 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 4.219605 1.330125 14.759753 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200252 0.667129 -0.867381 0.820424 2.014536 -0.644901 - octupole -0.081100 -0.120945 0.015291 0.151350 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 2.364270 -1.396926 14.353917 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026088 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081134 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 3.328568 -3.901096 14.282191 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 6.590950 -4.637810 14.649073 - znuc, monopole 16.000000 -15.424149 - dipole -0.645105 0.702589 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883321 - octupole 0.376726 0.162146 0.007751 -0.064504 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 7.423473 -2.286399 16.894808 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172782 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 6.452084 0.109078 16.952554 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160109 -0.001747 -0.175100 0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 7.203746 1.858268 18.837138 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 7.821499 3.343451 20.355990 - znuc, monopole 7.000000 -6.844356 - dipole -0.128196 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 9.269126 -3.043422 18.676272 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065351 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049998 0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 10.874214 -3.653944 20.067712 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 1.702613 -5.747741 13.886437 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109388 -0.037751 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -1.176389 -4.554665 13.466623 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657691 1.380421 -2.038112 -0.516799 0.477705 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079016 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -0.229585 -1.431796 13.965497 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102512 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033078 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -1.912005 0.622783 13.978787 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447125 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -3.319600 2.325480 14.038596 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013044 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 3.291938 -0.033400 14.556835 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127967 0.303138 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064490 -0.081833 0.097857 0.020810 0.250721 0.061023 -0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 2.846419 -2.649011 14.318054 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099040 0.017364 - octupole -0.006938 -0.415001 -0.020563 0.384074 0.195901 -0.173546 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 4.959759 -4.269453 14.465632 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032097 0.067519 -0.068455 0.111862 -0.234600 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 7.007211 -3.462104 15.771940 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121103 0.078949 0.001930 0.434804 - octupole 0.128235 0.066191 0.098878 0.110012 0.100436 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 5.335845 0.719602 15.856154 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231615 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150223 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 6.937778 -1.088660 16.923681 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301576 0.166371 0.195835 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 6.827915 0.983673 17.894846 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006089 -0.183194 -0.206575 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227648 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 7.512622 2.600859 19.596564 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226596 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 8.346300 -2.664910 17.785540 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142766 -0.071307 0.108121 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 10.071670 -3.348683 19.371992 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 2.515590 -4.824418 14.084314 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270648 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 0.263112 -5.151203 13.676530 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026718 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017862 0.101437 -0.090246 -0.034757 -0.166575 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 1.067343 -1.414361 14.159707 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254354 -0.246051 0.014825 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -0.702987 -2.993231 13.716060 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 -1.070795 -0.404507 13.972142 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027863 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -2.615803 1.474132 14.008692 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053653 0.238490 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084792 -0.000751 0.009942 -0.105320 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 2.463531 -4.784861 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 10.107633 -3.897328 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.334346 1.764332 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 7.167617 3.027091 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.359009 -2.687665 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.102989 -0.386810 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.527209 -5.183035 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.245682 -0.145353 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.874126 -4.209593 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.835468 1.009690 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.936298 -2.599261 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.508421 -1.263007 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.000195 -1.508207 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.739029 -2.827742 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.401296 0.637175 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.202943 -1.392605 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.006729 -3.349219 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.406423 -0.880236 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.751820 2.848022 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.363944 -3.842595 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.009546 3.797665 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.216721 -4.529720 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.644333 -5.450006 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.768589 -6.396649 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.080107 1.150091 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.440947 -2.944464 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.692591 1.946686 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.737515 -3.218964 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.338154 2.255168 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.496254 1.596783 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.712111 1.357463 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.970218 -4.288727 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.564896 -4.722881 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.278058 -4.885970 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.072943 2.579266 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S -4.999989 7.716360 19.613751 - znuc, mass 16.000000 31.972070 - - Atom A02C -3.144653 4.989309 20.019587 - znuc, mass 6.000000 12.000000 - - Atom A03C -4.108951 2.485139 20.091313 - znuc, mass 6.000000 12.000000 - - Atom A04S -7.371333 1.748425 19.724431 - znuc, mass 16.000000 31.972070 - - Atom A05C -8.203856 4.099836 17.478696 - znuc, mass 6.000000 12.000000 - - Atom A06C -7.232468 6.495313 17.420950 - znuc, mass 6.000000 12.000000 - - Atom A07C -7.984129 8.244503 15.536366 - znuc, mass 6.000000 12.000000 - - Atom A08N -8.601882 9.729686 14.017514 - znuc, mass 7.000000 14.003070 - - Atom A09C -10.049510 3.342813 15.697232 - znuc, mass 6.000000 12.000000 - - Atom A10N -11.654598 2.732291 14.305792 - znuc, mass 7.000000 14.003070 - - Atom A11N -2.482996 0.638494 20.487067 - znuc, mass 7.000000 14.003070 - - Atom A12S 0.396006 1.831570 20.906881 - znuc, mass 16.000000 31.972070 - - Atom A13C -0.550798 4.954439 20.408007 - znuc, mass 6.000000 12.000000 - - Atom A14C 1.131622 7.009018 20.394717 - znuc, mass 6.000000 12.000000 - - Atom A15N 2.539217 8.711715 20.334908 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -4.999989 7.716360 19.613751 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200252 0.667129 -0.867381 -0.820424 2.014536 0.644901 - octupole 0.081100 -0.120945 -0.015291 0.151350 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -3.144653 4.989309 20.019587 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026088 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081134 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C -4.108951 2.485139 20.091313 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -7.371333 1.748425 19.724431 - znuc, monopole 16.000000 -15.424149 - dipole 0.645105 0.702589 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883321 - octupole -0.376726 0.162146 -0.007751 -0.064504 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -8.203856 4.099836 17.478696 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172782 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C -7.232468 6.495313 17.420950 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160109 0.001747 0.175100 -0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -7.984129 8.244503 15.536366 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -8.601882 9.729686 14.017514 - znuc, monopole 7.000000 -6.844356 - dipole 0.128196 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -10.049510 3.342813 15.697232 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065351 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049998 -0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -11.654598 2.732291 14.305792 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -2.482996 0.638494 20.487067 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109388 0.037751 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 0.396006 1.831570 20.906881 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657691 1.380421 -2.038112 0.516799 0.477705 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079016 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -0.550798 4.954439 20.408007 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102512 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033078 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 1.131622 7.009018 20.394717 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447125 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 2.539217 8.711715 20.334908 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013044 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -4.072321 6.352835 19.816669 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127967 0.303138 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064490 0.081833 0.097857 -0.020810 -0.250721 -0.061023 0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -3.626802 3.737224 20.055450 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099040 -0.017364 - octupole 0.006938 -0.415001 0.020563 0.384074 -0.195901 0.173546 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -5.740142 2.116782 19.907872 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032097 -0.067519 -0.068455 -0.111862 0.234600 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -7.787594 2.924131 18.601564 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121103 -0.078949 0.001930 -0.434804 - octupole -0.128235 0.066191 -0.098878 0.110012 -0.100436 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -6.116228 7.105837 18.517351 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231615 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150223 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -7.718162 5.297575 17.449823 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301576 -0.166371 -0.195835 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 -7.608298 7.369908 16.478658 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006089 -0.183194 0.206575 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227648 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -8.293006 8.987094 14.776940 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226596 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -9.126683 3.721325 16.587964 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142766 -0.071307 -0.108121 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -10.852054 3.037552 15.001512 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -3.295974 1.561817 20.289190 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270648 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 -1.043495 1.235032 20.696974 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026718 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017862 -0.101437 -0.090246 0.034757 0.166575 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -1.847726 4.971874 20.213797 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254354 0.246051 0.014825 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -0.077396 3.393004 20.657444 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 0.290412 5.981728 20.401362 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027863 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 1.835420 7.860367 20.364812 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053653 0.238490 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084792 -0.000751 -0.009942 -0.105320 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -3.243914 1.601374 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -10.888016 2.488907 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.553962 8.150567 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -7.948000 9.413326 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.139393 3.698570 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.322606 5.999425 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.307592 1.203200 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.026065 6.240882 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.654509 2.176642 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.615851 7.395925 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.716681 3.786974 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.288804 5.123228 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.780578 4.878028 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.041354 3.558492 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.181679 7.023410 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.983327 4.993630 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.787112 3.037016 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.186806 5.505999 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.971437 9.234257 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.144327 2.543640 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.789929 10.183899 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.436338 1.856515 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.424716 0.936229 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.548972 -0.010414 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.299723 7.536326 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.221331 3.441771 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.472974 8.332921 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.517899 3.167271 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.118537 8.641403 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.715871 7.983018 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.492494 7.743698 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.750601 2.097508 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.784513 1.663354 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.058441 1.500265 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.853326 8.965501 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -12.300278 11.442345 8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C -10.444942 14.169395 8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C -11.409239 16.673565 8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S -14.671620 17.410281 8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C -15.504144 15.058870 6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C -14.532757 12.663393 5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C -15.284420 10.914204 4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N -15.902174 9.429021 2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C -17.349798 15.815894 4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N -18.954886 16.426418 2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N -9.783282 18.520209 9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S -6.904281 17.327133 9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C -7.851087 14.204264 8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C -6.168667 12.149684 8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N -4.761073 10.446986 8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -12.300278 11.442345 8.155916 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -10.444942 14.169395 8.561752 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -11.409239 16.673565 8.633478 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -14.671620 17.410281 8.266597 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -15.504144 15.058870 6.020862 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -14.532757 12.663393 5.963116 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -15.284420 10.914204 4.078532 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -15.902174 9.429021 2.559680 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -17.349798 15.815894 4.239399 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -18.954886 16.426418 2.847959 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -9.783282 18.520209 9.029232 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -6.904281 17.327133 9.449046 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -7.851087 14.204264 8.950172 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -6.168667 12.149684 8.936881 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -4.761073 10.446986 8.877072 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -11.372610 12.805870 8.358834 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -10.927090 15.421480 8.597615 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -13.040429 17.041923 8.450038 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -15.087882 16.234575 7.143730 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -13.416518 12.052869 7.059516 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -15.018451 13.861131 5.991989 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -14.908589 11.788798 5.020824 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -15.593297 10.171613 3.319106 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -16.426971 15.437382 5.130130 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -18.152342 16.121156 3.543679 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -10.596260 17.596887 8.831355 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -8.343782 17.923671 9.239139 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -9.148014 14.186830 8.755962 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -7.377684 15.765698 9.199609 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -7.009877 13.176974 8.943527 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -5.464870 11.298335 8.906976 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -11.016969 15.371730 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -18.521619 15.716937 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.746409 11.008067 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -16.153618 10.193207 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.487096 13.652707 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.358728 17.658439 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.515775 17.495348 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.326355 12.917822 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.954796 16.982063 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.439681 15.460137 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.977683 13.159277 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.916141 11.762781 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.283615 14.165073 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.341642 15.600210 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.087400 16.121690 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.080867 14.280676 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.481969 12.135296 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.589093 14.035478 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.328854 9.924444 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.444616 16.615069 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.090221 8.974808 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.607879 17.955503 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.849258 19.169118 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.050888 17.061198 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.584314 11.175774 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.818187 15.991437 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.792784 11.415007 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.188304 16.669800 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.248292 9.745380 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.000590 11.622353 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.773264 10.825784 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.725003 18.222477 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.863948 17.302188 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.544201 17.557330 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.418827 10.517303 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -3.080683 5.056110 3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C -4.936019 7.783160 2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C -3.971722 10.287330 2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S -0.709341 11.024046 3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 0.123183 8.672635 5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C -0.848204 6.277158 5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C -0.096541 4.527969 7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 0.521213 3.042786 8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 1.968837 9.429659 7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 3.573925 10.040183 8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N -5.597679 12.133974 2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S -8.476680 10.940898 2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C -7.529874 7.818029 2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C -9.212293 5.763449 2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N -10.619888 4.060751 2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -3.080683 5.056110 3.301918 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -4.936019 7.783160 2.896083 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -3.971722 10.287330 2.824356 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -0.709341 11.024046 3.191237 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 0.123183 8.672635 5.436972 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -0.848204 6.277158 5.494719 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -0.096541 4.527969 7.379303 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 0.521213 3.042786 8.898155 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 1.968837 9.429659 7.218436 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 3.573925 10.040183 8.609875 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -5.597679 12.133974 2.428602 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -8.476680 10.940898 2.008788 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -7.529874 7.818029 2.507663 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -9.212293 5.763449 2.520953 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -10.619888 4.060751 2.580763 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -4.008351 6.419635 3.099001 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -4.453871 9.035245 2.860220 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -2.340532 10.655688 3.007797 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -0.293079 9.848340 4.314105 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -1.964443 5.666634 4.398319 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -0.362510 7.474897 5.465846 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -0.472372 5.402564 6.437011 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 0.212336 3.785378 8.138729 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 1.046010 9.051147 6.327704 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 2.771381 9.734921 7.914156 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -4.784700 11.210652 2.626479 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -7.037179 11.537436 2.218695 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -6.232947 7.800595 2.701873 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -8.003277 9.379463 2.258226 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -8.371084 6.790739 2.514308 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -9.916091 4.912100 2.550858 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -4.363992 8.985495 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 3.140658 9.330702 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.634552 4.621832 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 0.772657 3.806972 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.106135 7.266472 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.022233 11.272204 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.865186 11.109113 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.054606 6.531587 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.426164 10.595828 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.058720 9.073902 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.403278 6.773043 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.464819 5.376546 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.097346 7.778838 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.039319 9.213975 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.293561 9.735455 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.300094 7.894441 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.898992 5.749061 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.791868 7.649243 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.052107 3.538209 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.063655 10.228834 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.709261 2.588573 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.773082 11.569268 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.531703 12.782883 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.330072 10.674963 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.796647 4.789539 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.437226 9.605202 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.588177 5.028772 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.807343 10.283566 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.132669 3.359146 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.380371 5.236118 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.607697 4.439549 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.655958 11.836242 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.517013 10.915953 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.836760 11.171095 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.037866 4.131068 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 12.300278 14.102595 -8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 10.444942 11.375545 -8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 11.409239 8.871374 -8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 14.671620 8.134659 -8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 15.504144 10.486070 -6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 14.532757 12.881547 -5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 15.284420 14.630736 -4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 15.902174 16.115919 -2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 17.349798 9.729046 -4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 18.954886 9.118522 -2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 9.783282 7.024730 -9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 6.904281 8.217807 -9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.851087 11.340676 -8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 6.168667 13.395256 -8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 4.761073 15.097954 -8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 12.300278 14.102595 -8.155916 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole -0.081100 -0.120946 0.015291 0.151351 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 10.444942 11.375545 -8.561752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081135 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 11.409239 8.871374 -8.633478 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 14.671620 8.134659 -8.266597 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole 0.376726 0.162146 0.007751 -0.064505 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 15.504144 10.486070 -6.020862 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 14.532757 12.881547 -5.963116 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160108 -0.001747 -0.175099 0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 15.284420 14.630736 -4.078532 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 15.902174 16.115919 -2.559680 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 17.349798 9.729046 -4.239399 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049997 0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 18.954886 9.118522 -2.847959 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 9.783282 7.024730 -9.029232 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 6.904281 8.217807 -9.449046 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079017 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.851087 11.340676 -8.950172 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033077 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 6.168667 13.395256 -8.936881 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 4.761073 15.097954 -8.877072 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 11.372610 12.739070 -8.358834 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064489 -0.081833 0.097858 0.020810 0.250721 0.061022 -0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 10.927090 10.123460 -8.597615 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole -0.006937 -0.415001 -0.020564 0.384074 0.195901 -0.173547 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 13.040429 8.503017 -8.450038 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032096 0.067519 -0.068455 0.111862 -0.234599 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 15.087882 9.310364 -7.143730 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole 0.128236 0.066192 0.098878 0.110011 0.100435 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 13.416518 13.492071 -7.059516 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150222 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 15.018451 11.683808 -5.991989 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301575 0.166371 0.195836 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 14.908589 13.756141 -5.020824 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227647 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 15.593297 15.373327 -3.319106 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 16.426971 10.107558 -5.130130 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 18.152342 9.423784 -3.543679 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 10.596260 7.948052 -8.831355 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 8.343782 7.621269 -9.239139 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017861 0.101437 -0.090246 -0.034757 -0.166574 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 9.148014 11.358110 -8.755962 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254353 -0.246051 0.014826 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 7.377684 9.779241 -9.199609 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 7.009877 12.367966 -8.943527 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027862 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 5.464870 14.246605 -8.906976 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084793 -0.000751 0.009942 -0.105319 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 10.544201 7.987610 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 18.188304 8.875139 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.746327 14.536805 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 15.248291 15.799559 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.439681 10.084803 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.977683 12.385662 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.607879 7.589437 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.326355 12.627117 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.954796 8.562876 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.916141 13.782158 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.016969 10.173209 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.589093 11.509461 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.080866 11.264264 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.341642 9.944730 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.481969 13.409644 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.283615 11.379867 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.087400 9.423250 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.487096 11.892233 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.328854 15.620496 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.444616 8.929871 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.090221 16.570132 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.863949 8.242753 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.725003 7.322463 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.849258 6.375822 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.000566 13.922565 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.521619 9.828003 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.773264 14.719156 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.818187 9.553503 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.418828 15.027636 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.584419 14.369256 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.792784 14.129933 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.050888 8.483741 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.515774 8.049592 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.358728 7.886501 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.153617 15.351734 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 3.080683 20.488830 -3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 4.936019 17.761780 -2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.971722 15.257609 -2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 0.709341 14.520894 -3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C -0.123183 16.872305 -5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 0.848204 19.267782 -5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 0.096541 21.016971 -7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N -0.521213 22.502154 -8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C -1.968837 16.115280 -7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N -3.573925 15.504757 -8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 5.597679 13.410965 -2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 8.476680 14.604042 -2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.529874 17.726911 -2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 9.212293 19.781491 -2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 10.619888 21.484189 -2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 3.080683 20.488830 -3.301918 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole 0.081100 -0.120946 -0.015291 0.151351 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 4.936019 17.761780 -2.896083 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081135 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 3.971722 15.257609 -2.824356 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 0.709341 14.520894 -3.191237 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole -0.376726 0.162146 -0.007751 -0.064505 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -0.123183 16.872305 -5.436972 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 0.848204 19.267782 -5.494719 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160108 0.001747 0.175099 -0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 0.096541 21.016971 -7.379303 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -0.521213 22.502154 -8.898155 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -1.968837 16.115280 -7.218436 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049997 -0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -3.573925 15.504757 -8.609875 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 5.597679 13.410965 -2.428602 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 8.476680 14.604042 -2.008788 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079017 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.529874 17.726911 -2.507663 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033077 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 9.212293 19.781491 -2.520953 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 10.619888 21.484189 -2.580763 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 4.008351 19.125305 -3.099001 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064489 0.081833 0.097858 -0.020810 -0.250721 -0.061022 0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 4.453871 16.509695 -2.860220 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole 0.006937 -0.415001 0.020564 0.384074 -0.195901 0.173547 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 2.340532 14.889252 -3.007797 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032096 -0.067519 -0.068455 -0.111862 0.234599 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 0.293079 15.696599 -4.314105 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole -0.128236 0.066192 -0.098878 0.110011 -0.100435 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 1.964443 19.878306 -4.398319 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150222 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 0.362510 18.070043 -5.465846 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301575 -0.166371 -0.195836 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 0.472372 20.142376 -6.437011 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227647 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -0.212336 21.759562 -8.138729 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -1.046010 16.493793 -6.327704 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -2.771381 15.810019 -7.914156 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 4.784700 14.334287 -2.626479 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 7.037179 14.007504 -2.218695 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017861 -0.101437 -0.090246 0.034757 0.166574 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 6.232947 17.744345 -2.701873 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254353 0.246051 0.014826 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 8.003277 16.165476 -2.258226 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 8.371084 18.754201 -2.514308 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027862 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 9.916091 20.632840 -2.550858 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084793 -0.000751 -0.009942 -0.105319 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 4.836760 14.373845 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -2.807344 15.261374 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.634633 20.923040 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 0.132670 22.185794 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.058720 16.471038 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.403278 18.771897 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.773082 13.975671 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.054606 19.013352 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.426164 14.949111 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.464819 20.168393 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.363992 16.559444 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.791868 17.895696 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.300094 17.650499 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.039319 16.330965 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.898992 19.795879 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.097346 17.766102 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.293561 15.809485 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.106135 18.278468 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.052107 22.006731 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.063655 15.316106 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.709261 22.956367 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.517012 14.628988 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.655958 13.708698 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.531703 12.762057 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.380395 20.308800 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.140658 16.214238 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.607697 21.105391 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.437226 15.939738 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.037867 21.413871 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.796542 20.755491 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.588177 20.516167 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.330072 14.869976 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.865186 14.435827 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.022233 14.272736 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.772656 21.737969 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -20.380949 11.442345 31.071586 - znuc, mass 16.000000 31.972070 - - Atom A02C -18.525613 14.169395 31.477421 - znuc, mass 6.000000 12.000000 - - Atom A03C -19.489910 16.673565 31.549148 - znuc, mass 6.000000 12.000000 - - Atom A04S -22.752291 17.410281 31.182267 - znuc, mass 16.000000 31.972070 - - Atom A05C -23.584815 15.058870 28.936532 - znuc, mass 6.000000 12.000000 - - Atom A06C -22.613428 12.663393 28.878785 - znuc, mass 6.000000 12.000000 - - Atom A07C -23.365091 10.914204 26.994201 - znuc, mass 6.000000 12.000000 - - Atom A08N -23.982845 9.429021 25.475349 - znuc, mass 7.000000 14.003070 - - Atom A09C -25.430469 15.815894 27.155068 - znuc, mass 6.000000 12.000000 - - Atom A10N -27.035557 16.426418 25.763629 - znuc, mass 7.000000 14.003070 - - Atom A11N -17.863954 18.520209 31.944902 - znuc, mass 7.000000 14.003070 - - Atom A12S -14.984952 17.327133 32.364716 - znuc, mass 16.000000 31.972070 - - Atom A13C -15.931758 14.204264 31.865841 - znuc, mass 6.000000 12.000000 - - Atom A14C -14.249339 12.149684 31.852551 - znuc, mass 6.000000 12.000000 - - Atom A15N -12.841744 10.446986 31.792741 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -20.380949 11.442345 31.071586 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -18.525613 14.169395 31.477421 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -19.489910 16.673565 31.549148 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -22.752291 17.410281 31.182267 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -23.584815 15.058870 28.936532 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -22.613428 12.663393 28.878785 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -23.365091 10.914204 26.994201 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -23.982845 9.429021 25.475349 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -25.430469 15.815894 27.155068 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -27.035557 16.426418 25.763629 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -17.863954 18.520209 31.944902 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -14.984952 17.327133 32.364716 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -15.931758 14.204264 31.865841 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -14.249339 12.149684 31.852551 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -12.841744 10.446986 31.792741 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -19.453281 12.805870 31.274503 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -19.007761 15.421480 31.513284 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -21.121100 17.041923 31.365707 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -23.168553 16.234575 30.059399 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -21.497189 12.052869 29.975185 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -23.099122 13.861131 28.907658 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -22.989260 11.788798 27.936493 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -23.673968 10.171613 26.234775 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -24.507642 15.437382 28.045800 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -26.233013 16.121156 26.459348 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -18.676932 17.596887 31.747025 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -16.424453 17.923671 32.154809 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -17.228685 14.186830 31.671631 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -15.458355 15.765698 32.115278 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -15.090548 13.176974 31.859196 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -13.545541 11.298335 31.822646 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -19.097640 15.371730 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -26.602290 15.716937 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.827080 11.008067 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -24.234289 10.193207 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.567767 13.652707 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.439399 17.658439 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.596446 17.495348 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.407026 12.917822 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.035468 16.982063 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.520352 15.460137 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.058354 13.159277 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.996813 11.762781 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.364286 14.165073 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.422313 15.600210 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.168071 16.121690 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.161538 14.280676 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.562640 12.135296 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.669764 14.035478 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.409525 9.924444 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -27.525287 16.615069 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.170893 8.974808 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.688550 17.955503 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.929929 19.169118 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.131560 17.061198 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.664985 11.175774 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -25.898858 15.991437 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -20.873455 11.415007 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.268976 16.669800 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.328963 9.745380 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.081261 11.622353 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.853935 10.825784 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.805674 18.222477 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.944619 17.302188 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.624872 17.557330 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.499498 10.517303 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -11.161354 5.056110 26.217588 - znuc, mass 16.000000 31.972070 - - Atom A02C -13.016690 7.783160 25.811752 - znuc, mass 6.000000 12.000000 - - Atom A03C -12.052393 10.287330 25.740026 - znuc, mass 6.000000 12.000000 - - Atom A04S -8.790012 11.024046 26.106907 - znuc, mass 16.000000 31.972070 - - Atom A05C -7.957488 8.672635 28.352642 - znuc, mass 6.000000 12.000000 - - Atom A06C -8.928875 6.277158 28.410388 - znuc, mass 6.000000 12.000000 - - Atom A07C -8.177212 4.527969 30.294972 - znuc, mass 6.000000 12.000000 - - Atom A08N -7.559458 3.042786 31.813824 - znuc, mass 7.000000 14.003070 - - Atom A09C -6.111834 9.429659 30.134105 - znuc, mass 6.000000 12.000000 - - Atom A10N -4.506746 10.040183 31.525545 - znuc, mass 7.000000 14.003070 - - Atom A11N -13.678350 12.133974 25.344272 - znuc, mass 7.000000 14.003070 - - Atom A12S -16.557351 10.940898 24.924458 - znuc, mass 16.000000 31.972070 - - Atom A13C -15.610545 7.818029 25.423332 - znuc, mass 6.000000 12.000000 - - Atom A14C -17.292965 5.763449 25.436623 - znuc, mass 6.000000 12.000000 - - Atom A15N -18.700559 4.060751 25.496432 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -11.161354 5.056110 26.217588 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -13.016690 7.783160 25.811752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -12.052393 10.287330 25.740026 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -8.790012 11.024046 26.106907 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -7.957488 8.672635 28.352642 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -8.928875 6.277158 28.410388 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -8.177212 4.527969 30.294972 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -7.559458 3.042786 31.813824 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -6.111834 9.429659 30.134105 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -4.506746 10.040183 31.525545 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -13.678350 12.133974 25.344272 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -16.557351 10.940898 24.924458 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -15.610545 7.818029 25.423332 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -17.292965 5.763449 25.436623 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -18.700559 4.060751 25.496432 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -12.089022 6.419635 26.014670 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -12.534542 9.035245 25.775889 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -10.421203 10.655688 25.923466 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -8.373750 9.848340 27.229774 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -10.045114 5.666634 27.313988 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -8.443181 7.474897 28.381515 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -8.553043 5.402564 29.352680 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -7.868335 3.785378 31.054398 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -7.034661 9.051147 29.243374 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -5.309290 9.734921 30.829825 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -12.865372 11.210652 25.542149 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -15.117850 11.537436 25.134365 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -14.313618 7.800595 25.617542 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -16.083948 9.379463 25.173895 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -16.451755 6.790739 25.429977 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -17.996762 4.912100 25.466528 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -12.444663 8.985495 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -4.940013 9.330702 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.715223 4.621832 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -7.308014 3.806972 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.974536 7.266472 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.102904 11.272204 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.945857 11.109113 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.135277 6.531587 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.506836 10.595828 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.021951 9.073902 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.483949 6.773043 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.545491 5.376546 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.178017 7.778838 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.119990 9.213975 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.374232 9.735455 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.380765 7.894441 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.979663 5.749061 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.872539 7.649243 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.132779 3.538209 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.017016 10.228834 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.371411 2.588573 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.853753 11.569268 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.612374 12.782883 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.410744 10.674963 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.877318 4.789539 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.643445 9.605202 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.668848 5.028772 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.273328 10.283566 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.213340 3.359146 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.461042 5.236118 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.688368 4.439549 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.736629 11.836242 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.597684 10.915953 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.917431 11.171095 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.042805 4.131068 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 4.219605 14.102595 14.759753 - znuc, mass 16.000000 31.972070 - - Atom A02C 2.364270 11.375544 14.353917 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.328568 8.871374 14.282191 - znuc, mass 6.000000 12.000000 - - Atom A04S 6.590950 8.134660 14.649073 - znuc, mass 16.000000 31.972070 - - Atom A05C 7.423473 10.486071 16.894808 - znuc, mass 6.000000 12.000000 - - Atom A06C 6.452084 12.881548 16.952554 - znuc, mass 6.000000 12.000000 - - Atom A07C 7.203746 14.630737 18.837138 - znuc, mass 6.000000 12.000000 - - Atom A08N 7.821499 16.115921 20.355990 - znuc, mass 7.000000 14.003070 - - Atom A09C 9.269126 9.729048 18.676272 - znuc, mass 6.000000 12.000000 - - Atom A10N 10.874214 9.118526 20.067712 - znuc, mass 7.000000 14.003070 - - Atom A11N 1.702613 7.024729 13.886437 - znuc, mass 7.000000 14.003070 - - Atom A12S -1.176389 8.217805 13.466623 - znuc, mass 16.000000 31.972070 - - Atom A13C -0.229585 11.340674 13.965497 - znuc, mass 6.000000 12.000000 - - Atom A14C -1.912005 13.395253 13.978787 - znuc, mass 6.000000 12.000000 - - Atom A15N -3.319600 15.097950 14.038596 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 4.219605 14.102595 14.759753 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200252 0.667129 -0.867381 0.820424 2.014536 -0.644901 - octupole -0.081100 -0.120945 0.015291 0.151350 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 2.364270 11.375544 14.353917 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026088 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081134 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 3.328568 8.871374 14.282191 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 6.590950 8.134660 14.649073 - znuc, monopole 16.000000 -15.424149 - dipole -0.645105 0.702589 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883321 - octupole 0.376726 0.162146 0.007751 -0.064504 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 7.423473 10.486071 16.894808 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172782 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 6.452084 12.881548 16.952554 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160109 -0.001747 -0.175100 0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 7.203746 14.630737 18.837138 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 7.821499 16.115921 20.355990 - znuc, monopole 7.000000 -6.844356 - dipole -0.128196 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 9.269126 9.729048 18.676272 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065351 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049998 0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 10.874214 9.118526 20.067712 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 1.702613 7.024729 13.886437 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109388 -0.037751 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -1.176389 8.217805 13.466623 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657691 1.380421 -2.038112 -0.516799 0.477705 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079016 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -0.229585 11.340674 13.965497 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102512 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033078 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -1.912005 13.395253 13.978787 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447125 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -3.319600 15.097950 14.038596 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013044 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 3.291938 12.739070 14.556835 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127967 0.303138 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064490 -0.081833 0.097857 0.020810 0.250721 0.061023 -0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 2.846419 10.123459 14.318054 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099040 0.017364 - octupole -0.006938 -0.415001 -0.020563 0.384074 0.195901 -0.173546 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 4.959759 8.503017 14.465632 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032097 0.067519 -0.068455 0.111862 -0.234600 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 7.007211 9.310366 15.771940 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121103 0.078949 0.001930 0.434804 - octupole 0.128235 0.066191 0.098878 0.110012 0.100436 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 5.335845 13.492072 15.856154 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231615 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150223 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 6.937778 11.683810 16.923681 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301576 0.166371 0.195835 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 6.827915 13.756143 17.894846 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006089 -0.183194 -0.206575 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227648 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 7.512622 15.373329 19.596564 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226596 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 8.346300 10.107560 17.785540 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142766 -0.071307 0.108121 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 10.071670 9.423787 19.371992 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 2.515590 7.948052 14.084314 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270648 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 0.263112 7.621267 13.676530 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026718 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017862 0.101437 -0.090246 -0.034757 -0.166575 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 1.067343 11.358109 14.159707 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254354 -0.246051 0.014825 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -0.702987 9.779239 13.716060 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 -1.070795 12.367963 13.972142 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027863 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -2.615803 14.246601 14.008692 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053653 0.238490 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084792 -0.000751 0.009942 -0.105320 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 2.463531 7.987609 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 10.107633 8.875142 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.334346 14.536802 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 7.167617 15.799561 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.359009 10.084805 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.102989 12.385660 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.527209 7.589435 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.245682 12.627117 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.874126 8.562877 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.835468 13.782160 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.936298 10.173209 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.508421 11.509463 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.000195 11.264263 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.739029 9.944727 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.401296 13.409645 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.202943 11.379865 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.006729 9.423251 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.406423 11.892234 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.751820 15.620492 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.363944 8.929875 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.009546 16.570134 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.216721 8.242750 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.644333 7.322464 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.768589 6.375821 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.080107 13.922561 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.440947 9.828006 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.692591 14.719156 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.737515 9.553506 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.338154 15.027638 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.496254 14.369253 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.712111 14.129933 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.970218 8.483743 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.564896 8.049589 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.278058 7.886500 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.072943 15.351736 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S -4.999989 20.488830 19.613751 - znuc, mass 16.000000 31.972070 - - Atom A02C -3.144653 17.761779 20.019587 - znuc, mass 6.000000 12.000000 - - Atom A03C -4.108951 15.257609 20.091313 - znuc, mass 6.000000 12.000000 - - Atom A04S -7.371333 14.520895 19.724431 - znuc, mass 16.000000 31.972070 - - Atom A05C -8.203856 16.872306 17.478696 - znuc, mass 6.000000 12.000000 - - Atom A06C -7.232468 19.267783 17.420950 - znuc, mass 6.000000 12.000000 - - Atom A07C -7.984129 21.016972 15.536366 - znuc, mass 6.000000 12.000000 - - Atom A08N -8.601882 22.502156 14.017514 - znuc, mass 7.000000 14.003070 - - Atom A09C -10.049510 16.115283 15.697232 - znuc, mass 6.000000 12.000000 - - Atom A10N -11.654598 15.504761 14.305792 - znuc, mass 7.000000 14.003070 - - Atom A11N -2.482996 13.410964 20.487067 - znuc, mass 7.000000 14.003070 - - Atom A12S 0.396006 14.604039 20.906881 - znuc, mass 16.000000 31.972070 - - Atom A13C -0.550798 17.726909 20.408007 - znuc, mass 6.000000 12.000000 - - Atom A14C 1.131622 19.781488 20.394717 - znuc, mass 6.000000 12.000000 - - Atom A15N 2.539217 21.484185 20.334908 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -4.999989 20.488830 19.613751 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200252 0.667129 -0.867381 -0.820424 2.014536 0.644901 - octupole 0.081100 -0.120945 -0.015291 0.151350 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -3.144653 17.761779 20.019587 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026088 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081134 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C -4.108951 15.257609 20.091313 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -7.371333 14.520895 19.724431 - znuc, monopole 16.000000 -15.424149 - dipole 0.645105 0.702589 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883321 - octupole -0.376726 0.162146 -0.007751 -0.064504 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -8.203856 16.872306 17.478696 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172782 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C -7.232468 19.267783 17.420950 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160109 0.001747 0.175100 -0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -7.984129 21.016972 15.536366 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -8.601882 22.502156 14.017514 - znuc, monopole 7.000000 -6.844356 - dipole 0.128196 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -10.049510 16.115283 15.697232 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065351 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049998 -0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -11.654598 15.504761 14.305792 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -2.482996 13.410964 20.487067 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109388 0.037751 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 0.396006 14.604039 20.906881 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657691 1.380421 -2.038112 0.516799 0.477705 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079016 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -0.550798 17.726909 20.408007 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102512 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033078 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 1.131622 19.781488 20.394717 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447125 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 2.539217 21.484185 20.334908 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013044 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -4.072321 19.125305 19.816669 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127967 0.303138 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064490 0.081833 0.097857 -0.020810 -0.250721 -0.061023 0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -3.626802 16.509694 20.055450 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099040 -0.017364 - octupole 0.006938 -0.415001 0.020563 0.384074 -0.195901 0.173546 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -5.740142 14.889252 19.907872 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032097 -0.067519 -0.068455 -0.111862 0.234600 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -7.787594 15.696601 18.601564 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121103 -0.078949 0.001930 -0.434804 - octupole -0.128235 0.066191 -0.098878 0.110012 -0.100436 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -6.116228 19.878307 18.517351 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231615 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150223 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -7.718162 18.070045 17.449823 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301576 -0.166371 -0.195835 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 -7.608298 20.142378 16.478658 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006089 -0.183194 0.206575 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227648 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -8.293006 21.759564 14.776940 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226596 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -9.126683 16.493795 16.587964 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142766 -0.071307 -0.108121 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -10.852054 15.810022 15.001512 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -3.295974 14.334287 20.289190 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270648 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 -1.043495 14.007502 20.696974 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026718 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017862 -0.101437 -0.090246 0.034757 0.166575 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -1.847726 17.744344 20.213797 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254354 0.246051 0.014825 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -0.077396 16.165474 20.657444 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 0.290412 18.754198 20.401362 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027863 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 1.835420 20.632836 20.364812 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053653 0.238490 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084792 -0.000751 -0.009942 -0.105320 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -3.243914 14.373844 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -10.888016 15.261377 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.553962 20.923037 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -7.948000 22.185796 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.139393 16.471040 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.322606 18.771895 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.307592 13.975670 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.026065 19.013352 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.654509 14.949112 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.615851 20.168395 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.716681 16.559444 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.288804 17.895698 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.780578 17.650498 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.041354 16.330962 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.181679 19.795880 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.983327 17.766100 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.787112 15.809486 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.186806 18.278469 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.971437 22.006727 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.144327 15.316110 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.789929 22.956369 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.436338 14.628985 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.424716 13.708699 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.548972 12.762056 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.299723 20.308796 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.221331 16.214241 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.472974 21.105391 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.517899 15.939741 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.118537 21.413873 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.715871 20.755488 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.492494 20.516168 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.750601 14.869978 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.784513 14.435824 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.058441 14.272735 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.853326 21.737971 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -12.300278 24.214814 8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C -10.444942 26.941865 8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C -11.409239 29.446035 8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S -14.671620 30.182751 8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C -15.504144 27.831340 6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C -14.532757 25.435863 5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C -15.284420 23.686674 4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N -15.902174 22.201491 2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C -17.349798 28.588364 4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N -18.954886 29.198887 2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N -9.783282 31.292679 9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S -6.904281 30.099603 9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C -7.851087 26.976734 8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C -6.168667 24.922154 8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N -4.761073 23.219456 8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -12.300278 24.214814 8.155916 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -10.444942 26.941865 8.561752 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -11.409239 29.446035 8.633478 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -14.671620 30.182751 8.266597 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -15.504144 27.831340 6.020862 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -14.532757 25.435863 5.963116 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -15.284420 23.686674 4.078532 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -15.902174 22.201491 2.559680 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -17.349798 28.588364 4.239399 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -18.954886 29.198887 2.847959 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -9.783282 31.292679 9.029232 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -6.904281 30.099603 9.449046 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -7.851087 26.976734 8.950172 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -6.168667 24.922154 8.936881 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -4.761073 23.219456 8.877072 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -11.372610 25.578340 8.358834 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -10.927090 28.193950 8.597615 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -13.040429 29.814393 8.450038 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -15.087882 29.007045 7.143730 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -13.416518 24.825339 7.059516 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -15.018451 26.633601 5.991989 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -14.908589 24.561268 5.020824 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -15.593297 22.944082 3.319106 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -16.426971 28.209852 5.130130 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -18.152342 28.893626 3.543679 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -10.596260 30.369357 8.831355 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -8.343782 30.696141 9.239139 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -9.148014 26.959299 8.755962 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -7.377684 28.538168 9.199609 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -7.009877 25.949444 8.943527 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -5.464870 24.070805 8.906976 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -11.016969 28.144200 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -18.521619 28.489407 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.746409 23.780537 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -16.153618 22.965676 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.487096 26.425177 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.358728 30.430909 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.515775 30.267818 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.326355 25.690292 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.954796 29.754533 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.439681 28.232607 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.977683 25.931747 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.916141 24.535251 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.283615 26.937543 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.341642 28.372680 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.087400 28.894160 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.080867 27.053146 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.481969 24.907766 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.589093 26.807948 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.328854 22.696914 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.444616 29.387539 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.090221 21.747277 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.607879 30.727973 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.849258 31.941587 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.050888 29.833668 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.584314 23.948244 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.818187 28.763906 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.792784 24.187477 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.188304 29.442270 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.248292 22.517850 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.000590 24.394823 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.773264 23.598254 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.725003 30.994947 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.863948 30.074657 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.544201 30.329800 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.418827 23.289773 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -3.080683 17.828580 3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C -4.936019 20.555630 2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C -3.971722 23.059800 2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S -0.709341 23.796516 3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 0.123183 21.445105 5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C -0.848204 19.049628 5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C -0.096541 17.300439 7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 0.521213 15.815256 8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 1.968837 22.202129 7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 3.573925 22.812652 8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N -5.597679 24.906444 2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S -8.476680 23.713368 2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C -7.529874 20.590499 2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C -9.212293 18.535919 2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N -10.619888 16.833221 2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -3.080683 17.828580 3.301918 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -4.936019 20.555630 2.896083 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -3.971722 23.059800 2.824356 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -0.709341 23.796516 3.191237 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 0.123183 21.445105 5.436972 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -0.848204 19.049628 5.494719 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -0.096541 17.300439 7.379303 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 0.521213 15.815256 8.898155 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 1.968837 22.202129 7.218436 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 3.573925 22.812652 8.609875 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -5.597679 24.906444 2.428602 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -8.476680 23.713368 2.008788 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -7.529874 20.590499 2.507663 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -9.212293 18.535919 2.520953 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -10.619888 16.833221 2.580763 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -4.008351 19.192105 3.099001 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -4.453871 21.807715 2.860220 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -2.340532 23.428158 3.007797 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -0.293079 22.620810 4.314105 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -1.964443 18.439104 4.398319 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -0.362510 20.247366 5.465846 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -0.472372 18.175033 6.437011 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 0.212336 16.557847 8.138729 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 1.046010 21.823617 6.327704 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 2.771381 22.507391 7.914156 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -4.784700 23.983122 2.626479 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -7.037179 24.309906 2.218695 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -6.232947 20.573065 2.701873 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -8.003277 22.151933 2.258226 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -8.371084 19.563209 2.514308 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -9.916091 17.684570 2.550858 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -4.363992 21.757965 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 3.140658 22.103172 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.634552 17.394302 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 0.772657 16.579441 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.106135 20.038942 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.022233 24.044674 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.865186 23.881583 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.054606 19.304057 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.426164 23.368298 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.058720 21.846372 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.403278 19.545512 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.464819 18.149016 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.097346 20.551308 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.039319 21.986445 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.293561 22.507925 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.300094 20.666911 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.898992 18.521531 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.791868 20.421713 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.052107 16.310679 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.063655 23.001304 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.709261 15.361042 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.773082 24.341738 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.531703 25.555353 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.330072 23.447433 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.796647 17.562009 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.437226 22.377672 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.588177 17.801242 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.807343 23.056035 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.132669 16.131615 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.380371 18.008588 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.607697 17.212019 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.655958 24.608712 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.517013 23.688423 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.836760 23.943565 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.037866 16.903538 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 12.300278 26.875065 -8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 10.444942 24.148015 -8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 11.409239 21.643844 -8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 14.671620 20.907129 -8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 15.504144 23.258540 -6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 14.532757 25.654017 -5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 15.284420 27.403206 -4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 15.902174 28.888389 -2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 17.349798 22.501515 -4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 18.954886 21.890992 -2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 9.783282 19.797200 -9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 6.904281 20.990277 -9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.851087 24.113146 -8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 6.168667 26.167726 -8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 4.761073 27.870423 -8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 12.300278 26.875065 -8.155916 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole -0.081100 -0.120946 0.015291 0.151351 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 10.444942 24.148015 -8.561752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081135 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 11.409239 21.643844 -8.633478 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 14.671620 20.907129 -8.266597 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole 0.376726 0.162146 0.007751 -0.064505 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 15.504144 23.258540 -6.020862 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 14.532757 25.654017 -5.963116 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160108 -0.001747 -0.175099 0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 15.284420 27.403206 -4.078532 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 15.902174 28.888389 -2.559680 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 17.349798 22.501515 -4.239399 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049997 0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 18.954886 21.890992 -2.847959 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 9.783282 19.797200 -9.029232 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 6.904281 20.990277 -9.449046 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079017 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.851087 24.113146 -8.950172 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033077 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 6.168667 26.167726 -8.936881 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 4.761073 27.870423 -8.877072 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 11.372610 25.511540 -8.358834 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064489 -0.081833 0.097858 0.020810 0.250721 0.061022 -0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 10.927090 22.895930 -8.597615 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole -0.006937 -0.415001 -0.020564 0.384074 0.195901 -0.173547 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 13.040429 21.275487 -8.450038 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032096 0.067519 -0.068455 0.111862 -0.234599 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 15.087882 22.082834 -7.143730 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole 0.128236 0.066192 0.098878 0.110011 0.100435 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 13.416518 26.264541 -7.059516 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150222 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 15.018451 24.456278 -5.991989 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301575 0.166371 0.195836 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 14.908589 26.528611 -5.020824 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227647 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 15.593297 28.145797 -3.319106 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 16.426971 22.880028 -5.130130 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 18.152342 22.196254 -3.543679 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 10.596260 20.720522 -8.831355 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 8.343782 20.393739 -9.239139 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017861 0.101437 -0.090246 -0.034757 -0.166574 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 9.148014 24.130580 -8.755962 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254353 -0.246051 0.014826 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 7.377684 22.551711 -9.199609 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 7.009877 25.140436 -8.943527 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027862 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 5.464870 27.019075 -8.906976 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084793 -0.000751 0.009942 -0.105319 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 10.544201 20.760080 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 18.188304 21.647609 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.746327 27.309275 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 15.248291 28.572029 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.439681 22.857273 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.977683 25.158132 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.607879 20.361906 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.326355 25.399587 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.954796 21.335346 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.916141 26.554628 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.016969 22.945679 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.589093 24.281931 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.080866 24.036734 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.341642 22.717200 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.481969 26.182114 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.283615 24.152337 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.087400 22.195720 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.487096 24.664703 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.328854 28.392966 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.444616 21.702341 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.090221 29.342602 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.863949 21.015222 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.725003 20.094933 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.849258 19.148292 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.000566 26.695035 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.521619 22.600473 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.773264 27.491626 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.818187 22.325973 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.418828 27.800106 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.584419 27.141726 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.792784 26.902402 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.050888 21.256211 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.515774 20.822062 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.358728 20.658971 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.153617 28.124204 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 3.080683 33.261300 -3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 4.936019 30.534250 -2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.971722 28.030079 -2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 0.709341 27.293364 -3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C -0.123183 29.644775 -5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 0.848204 32.040252 -5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 0.096541 33.789441 -7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N -0.521213 35.274624 -8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C -1.968837 28.887750 -7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N -3.573925 28.277227 -8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 5.597679 26.183435 -2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 8.476680 27.376512 -2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.529874 30.499380 -2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 9.212293 32.553961 -2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 10.619888 34.256658 -2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 3.080683 33.261300 -3.301918 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole 0.081100 -0.120946 -0.015291 0.151351 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 4.936019 30.534250 -2.896083 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081135 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 3.971722 28.030079 -2.824356 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 0.709341 27.293364 -3.191237 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole -0.376726 0.162146 -0.007751 -0.064505 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -0.123183 29.644775 -5.436972 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 0.848204 32.040252 -5.494719 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160108 0.001747 0.175099 -0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 0.096541 33.789441 -7.379303 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -0.521213 35.274624 -8.898155 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -1.968837 28.887750 -7.218436 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049997 -0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -3.573925 28.277227 -8.609875 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 5.597679 26.183435 -2.428602 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 8.476680 27.376512 -2.008788 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079017 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.529874 30.499380 -2.507663 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033077 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 9.212293 32.553961 -2.520953 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 10.619888 34.256658 -2.580763 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 4.008351 31.897775 -3.099001 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064489 0.081833 0.097858 -0.020810 -0.250721 -0.061022 0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 4.453871 29.282165 -2.860220 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole 0.006937 -0.415001 0.020564 0.384074 -0.195901 0.173547 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 2.340532 27.661722 -3.007797 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032096 -0.067519 -0.068455 -0.111862 0.234599 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 0.293079 28.469069 -4.314105 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole -0.128236 0.066192 -0.098878 0.110011 -0.100435 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 1.964443 32.650776 -4.398319 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150222 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 0.362510 30.842513 -5.465846 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301575 -0.166371 -0.195836 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 0.472372 32.914846 -6.437011 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227647 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -0.212336 34.532032 -8.138729 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -1.046010 29.266262 -6.327704 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -2.771381 28.582489 -7.914156 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 4.784700 27.106757 -2.626479 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 7.037179 26.779974 -2.218695 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017861 -0.101437 -0.090246 0.034757 0.166574 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 6.232947 30.516815 -2.701873 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254353 0.246051 0.014826 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 8.003277 28.937946 -2.258226 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 8.371084 31.526671 -2.514308 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027862 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 9.916091 33.405309 -2.550858 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084793 -0.000751 -0.009942 -0.105319 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 4.836760 27.146314 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -2.807344 28.033844 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.634633 33.695510 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 0.132670 34.958264 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.058720 29.243508 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.403278 31.544367 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.773082 26.748141 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.054606 31.785822 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.426164 27.721581 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.464819 32.940863 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.363992 29.331914 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.791868 30.668166 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.300094 30.422969 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.039319 29.103435 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.898992 32.568349 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.097346 30.538571 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.293561 28.581955 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.106135 31.050938 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.052107 34.779201 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.063655 28.088576 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.709261 35.728837 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.517012 27.401457 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.655958 26.481168 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.531703 25.534527 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.380395 33.081270 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.140658 28.986707 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.607697 33.877861 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.437226 28.712208 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.037867 34.186341 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.796542 33.527961 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.588177 33.288637 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.330072 27.642446 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.865186 27.208297 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.022233 27.045206 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.772656 34.510439 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -20.380949 24.214814 31.071586 - znuc, mass 16.000000 31.972070 - - Atom A02C -18.525613 26.941865 31.477421 - znuc, mass 6.000000 12.000000 - - Atom A03C -19.489910 29.446035 31.549148 - znuc, mass 6.000000 12.000000 - - Atom A04S -22.752291 30.182751 31.182267 - znuc, mass 16.000000 31.972070 - - Atom A05C -23.584815 27.831340 28.936532 - znuc, mass 6.000000 12.000000 - - Atom A06C -22.613428 25.435863 28.878785 - znuc, mass 6.000000 12.000000 - - Atom A07C -23.365091 23.686674 26.994201 - znuc, mass 6.000000 12.000000 - - Atom A08N -23.982845 22.201491 25.475349 - znuc, mass 7.000000 14.003070 - - Atom A09C -25.430469 28.588364 27.155068 - znuc, mass 6.000000 12.000000 - - Atom A10N -27.035557 29.198887 25.763629 - znuc, mass 7.000000 14.003070 - - Atom A11N -17.863954 31.292679 31.944902 - znuc, mass 7.000000 14.003070 - - Atom A12S -14.984952 30.099603 32.364716 - znuc, mass 16.000000 31.972070 - - Atom A13C -15.931758 26.976734 31.865841 - znuc, mass 6.000000 12.000000 - - Atom A14C -14.249339 24.922154 31.852551 - znuc, mass 6.000000 12.000000 - - Atom A15N -12.841744 23.219456 31.792741 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -20.380949 24.214814 31.071586 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -18.525613 26.941865 31.477421 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -19.489910 29.446035 31.549148 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -22.752291 30.182751 31.182267 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -23.584815 27.831340 28.936532 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -22.613428 25.435863 28.878785 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -23.365091 23.686674 26.994201 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -23.982845 22.201491 25.475349 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -25.430469 28.588364 27.155068 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -27.035557 29.198887 25.763629 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -17.863954 31.292679 31.944902 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -14.984952 30.099603 32.364716 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -15.931758 26.976734 31.865841 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -14.249339 24.922154 31.852551 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -12.841744 23.219456 31.792741 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -19.453281 25.578340 31.274503 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -19.007761 28.193950 31.513284 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -21.121100 29.814393 31.365707 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -23.168553 29.007045 30.059399 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -21.497189 24.825339 29.975185 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -23.099122 26.633601 28.907658 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -22.989260 24.561268 27.936493 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -23.673968 22.944082 26.234775 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -24.507642 28.209852 28.045800 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -26.233013 28.893626 26.459348 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -18.676932 30.369357 31.747025 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -16.424453 30.696141 32.154809 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -17.228685 26.959299 31.671631 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -15.458355 28.538168 32.115278 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -15.090548 25.949444 31.859196 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -13.545541 24.070805 31.822646 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -19.097640 28.144200 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -26.602290 28.489407 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.827080 23.780537 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -24.234289 22.965676 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.567767 26.425177 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.439399 30.430909 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.596446 30.267818 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.407026 25.690292 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.035468 29.754533 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.520352 28.232607 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.058354 25.931747 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.996813 24.535251 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.364286 26.937543 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.422313 28.372680 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.168071 28.894160 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.161538 27.053146 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.562640 24.907766 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.669764 26.807948 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.409525 22.696914 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -27.525287 29.387539 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.170893 21.747277 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.688550 30.727973 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.929929 31.941587 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.131560 29.833668 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.664985 23.948244 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -25.898858 28.763906 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -20.873455 24.187477 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.268976 29.442270 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.328963 22.517850 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.081261 24.394823 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.853935 23.598254 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.805674 30.994947 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.944619 30.074657 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.624872 30.329800 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.499498 23.289773 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -11.161354 17.828580 26.217588 - znuc, mass 16.000000 31.972070 - - Atom A02C -13.016690 20.555630 25.811752 - znuc, mass 6.000000 12.000000 - - Atom A03C -12.052393 23.059800 25.740026 - znuc, mass 6.000000 12.000000 - - Atom A04S -8.790012 23.796516 26.106907 - znuc, mass 16.000000 31.972070 - - Atom A05C -7.957488 21.445105 28.352642 - znuc, mass 6.000000 12.000000 - - Atom A06C -8.928875 19.049628 28.410388 - znuc, mass 6.000000 12.000000 - - Atom A07C -8.177212 17.300439 30.294972 - znuc, mass 6.000000 12.000000 - - Atom A08N -7.559458 15.815256 31.813824 - znuc, mass 7.000000 14.003070 - - Atom A09C -6.111834 22.202129 30.134105 - znuc, mass 6.000000 12.000000 - - Atom A10N -4.506746 22.812652 31.525545 - znuc, mass 7.000000 14.003070 - - Atom A11N -13.678350 24.906444 25.344272 - znuc, mass 7.000000 14.003070 - - Atom A12S -16.557351 23.713368 24.924458 - znuc, mass 16.000000 31.972070 - - Atom A13C -15.610545 20.590499 25.423332 - znuc, mass 6.000000 12.000000 - - Atom A14C -17.292965 18.535919 25.436623 - znuc, mass 6.000000 12.000000 - - Atom A15N -18.700559 16.833221 25.496432 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -11.161354 17.828580 26.217588 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -13.016690 20.555630 25.811752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -12.052393 23.059800 25.740026 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -8.790012 23.796516 26.106907 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -7.957488 21.445105 28.352642 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -8.928875 19.049628 28.410388 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -8.177212 17.300439 30.294972 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -7.559458 15.815256 31.813824 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -6.111834 22.202129 30.134105 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -4.506746 22.812652 31.525545 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -13.678350 24.906444 25.344272 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -16.557351 23.713368 24.924458 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -15.610545 20.590499 25.423332 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -17.292965 18.535919 25.436623 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -18.700559 16.833221 25.496432 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -12.089022 19.192105 26.014670 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -12.534542 21.807715 25.775889 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -10.421203 23.428158 25.923466 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -8.373750 22.620810 27.229774 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -10.045114 18.439104 27.313988 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -8.443181 20.247366 28.381515 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -8.553043 18.175033 29.352680 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -7.868335 16.557847 31.054398 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -7.034661 21.823617 29.243374 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -5.309290 22.507391 30.829825 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -12.865372 23.983122 25.542149 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -15.117850 24.309906 25.134365 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -14.313618 20.573065 25.617542 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -16.083948 22.151933 25.173895 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -16.451755 19.563209 25.429977 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -17.996762 17.684570 25.466528 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -12.444663 21.757965 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -4.940013 22.103172 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.715223 17.394302 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -7.308014 16.579441 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.974536 20.038942 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.102904 24.044674 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.945857 23.881583 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.135277 19.304057 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.506836 23.368298 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.021951 21.846372 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.483949 19.545512 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.545491 18.149016 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.178017 20.551308 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.119990 21.986445 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.374232 22.507925 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.380765 20.666911 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.979663 18.521531 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.872539 20.421713 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.132779 16.310679 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.017016 23.001304 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.371411 15.361042 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.853753 24.341738 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.612374 25.555353 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.410744 23.447433 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.877318 17.562009 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.643445 22.377672 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.668848 17.801242 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.273328 23.056035 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.213340 16.131615 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.461042 18.008588 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.688368 17.212019 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.736629 24.608712 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.597684 23.688423 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.917431 23.943565 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.042805 16.903538 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 4.219605 26.875065 14.759753 - znuc, mass 16.000000 31.972070 - - Atom A02C 2.364270 24.148014 14.353917 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.328568 21.643844 14.282191 - znuc, mass 6.000000 12.000000 - - Atom A04S 6.590950 20.907130 14.649073 - znuc, mass 16.000000 31.972070 - - Atom A05C 7.423473 23.258541 16.894808 - znuc, mass 6.000000 12.000000 - - Atom A06C 6.452084 25.654018 16.952554 - znuc, mass 6.000000 12.000000 - - Atom A07C 7.203746 27.403207 18.837138 - znuc, mass 6.000000 12.000000 - - Atom A08N 7.821499 28.888391 20.355990 - znuc, mass 7.000000 14.003070 - - Atom A09C 9.269126 22.501518 18.676272 - znuc, mass 6.000000 12.000000 - - Atom A10N 10.874214 21.890996 20.067712 - znuc, mass 7.000000 14.003070 - - Atom A11N 1.702613 19.797199 13.886437 - znuc, mass 7.000000 14.003070 - - Atom A12S -1.176389 20.990274 13.466623 - znuc, mass 16.000000 31.972070 - - Atom A13C -0.229585 24.113143 13.965497 - znuc, mass 6.000000 12.000000 - - Atom A14C -1.912005 26.167723 13.978787 - znuc, mass 6.000000 12.000000 - - Atom A15N -3.319600 27.870420 14.038596 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 4.219605 26.875065 14.759753 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200252 0.667129 -0.867381 0.820424 2.014536 -0.644901 - octupole -0.081100 -0.120945 0.015291 0.151350 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 2.364270 24.148014 14.353917 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026088 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081134 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 3.328568 21.643844 14.282191 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 6.590950 20.907130 14.649073 - znuc, monopole 16.000000 -15.424149 - dipole -0.645105 0.702589 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883321 - octupole 0.376726 0.162146 0.007751 -0.064504 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 7.423473 23.258541 16.894808 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172782 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 6.452084 25.654018 16.952554 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160109 -0.001747 -0.175100 0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 7.203746 27.403207 18.837138 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 7.821499 28.888391 20.355990 - znuc, monopole 7.000000 -6.844356 - dipole -0.128196 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 9.269126 22.501518 18.676272 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065351 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049998 0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 10.874214 21.890996 20.067712 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 1.702613 19.797199 13.886437 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109388 -0.037751 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -1.176389 20.990274 13.466623 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657691 1.380421 -2.038112 -0.516799 0.477705 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079016 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -0.229585 24.113143 13.965497 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102512 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033078 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -1.912005 26.167723 13.978787 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447125 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -3.319600 27.870420 14.038596 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013044 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 3.291938 25.511540 14.556835 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127967 0.303138 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064490 -0.081833 0.097857 0.020810 0.250721 0.061023 -0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 2.846419 22.895929 14.318054 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099040 0.017364 - octupole -0.006938 -0.415001 -0.020563 0.384074 0.195901 -0.173546 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 4.959759 21.275487 14.465632 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032097 0.067519 -0.068455 0.111862 -0.234600 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 7.007211 22.082836 15.771940 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121103 0.078949 0.001930 0.434804 - octupole 0.128235 0.066191 0.098878 0.110012 0.100436 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 5.335845 26.264542 15.856154 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231615 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150223 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 6.937778 24.456280 16.923681 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301576 0.166371 0.195835 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 6.827915 26.528613 17.894846 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006089 -0.183194 -0.206575 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227648 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 7.512622 28.145799 19.596564 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226596 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 8.346300 22.880030 17.785540 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142766 -0.071307 0.108121 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 10.071670 22.196257 19.371992 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 2.515590 20.720522 14.084314 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270648 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 0.263112 20.393737 13.676530 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026718 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017862 0.101437 -0.090246 -0.034757 -0.166575 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 1.067343 24.130579 14.159707 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254354 -0.246051 0.014825 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -0.702987 22.551709 13.716060 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 -1.070795 25.140433 13.972142 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027863 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -2.615803 27.019071 14.008692 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053653 0.238490 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084792 -0.000751 0.009942 -0.105320 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 2.463531 20.760079 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 10.107633 21.647612 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.334346 27.309272 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 7.167617 28.572031 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.359009 22.857275 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.102989 25.158130 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.527209 20.361905 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.245682 25.399587 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.874126 21.335347 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.835468 26.554630 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.936298 22.945679 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.508421 24.281933 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.000195 24.036733 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.739029 22.717197 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.401296 26.182115 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.202943 24.152335 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.006729 22.195721 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.406423 24.664704 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.751820 28.392962 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.363944 21.702344 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.009546 29.342604 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.216721 21.015220 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.644333 20.094934 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.768589 19.148291 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.080107 26.695031 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.440947 22.600476 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.692591 27.491626 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.737515 22.325976 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.338154 27.800108 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.496254 27.141723 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.712111 26.902403 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.970218 21.256212 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.564896 20.822059 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.278058 20.658970 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.072943 28.124206 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S -4.999989 33.261300 19.613751 - znuc, mass 16.000000 31.972070 - - Atom A02C -3.144653 30.534249 20.019587 - znuc, mass 6.000000 12.000000 - - Atom A03C -4.108951 28.030079 20.091313 - znuc, mass 6.000000 12.000000 - - Atom A04S -7.371333 27.293365 19.724431 - znuc, mass 16.000000 31.972070 - - Atom A05C -8.203856 29.644776 17.478696 - znuc, mass 6.000000 12.000000 - - Atom A06C -7.232468 32.040253 17.420950 - znuc, mass 6.000000 12.000000 - - Atom A07C -7.984129 33.789442 15.536366 - znuc, mass 6.000000 12.000000 - - Atom A08N -8.601882 35.274626 14.017514 - znuc, mass 7.000000 14.003070 - - Atom A09C -10.049510 28.887753 15.697232 - znuc, mass 6.000000 12.000000 - - Atom A10N -11.654598 28.277231 14.305792 - znuc, mass 7.000000 14.003070 - - Atom A11N -2.482996 26.183434 20.487067 - znuc, mass 7.000000 14.003070 - - Atom A12S 0.396006 27.376509 20.906881 - znuc, mass 16.000000 31.972070 - - Atom A13C -0.550798 30.499378 20.408007 - znuc, mass 6.000000 12.000000 - - Atom A14C 1.131622 32.553958 20.394717 - znuc, mass 6.000000 12.000000 - - Atom A15N 2.539217 34.256655 20.334908 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -4.999989 33.261300 19.613751 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200252 0.667129 -0.867381 -0.820424 2.014536 0.644901 - octupole 0.081100 -0.120945 -0.015291 0.151350 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -3.144653 30.534249 20.019587 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026088 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081134 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C -4.108951 28.030079 20.091313 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -7.371333 27.293365 19.724431 - znuc, monopole 16.000000 -15.424149 - dipole 0.645105 0.702589 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883321 - octupole -0.376726 0.162146 -0.007751 -0.064504 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -8.203856 29.644776 17.478696 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172782 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C -7.232468 32.040253 17.420950 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160109 0.001747 0.175100 -0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -7.984129 33.789442 15.536366 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -8.601882 35.274626 14.017514 - znuc, monopole 7.000000 -6.844356 - dipole 0.128196 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -10.049510 28.887753 15.697232 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065351 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049998 -0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -11.654598 28.277231 14.305792 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -2.482996 26.183434 20.487067 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109388 0.037751 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 0.396006 27.376509 20.906881 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657691 1.380421 -2.038112 0.516799 0.477705 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079016 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -0.550798 30.499378 20.408007 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102512 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033078 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 1.131622 32.553958 20.394717 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447125 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 2.539217 34.256655 20.334908 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013044 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -4.072321 31.897774 19.816669 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127967 0.303138 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064490 0.081833 0.097857 -0.020810 -0.250721 -0.061023 0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -3.626802 29.282164 20.055450 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099040 -0.017364 - octupole 0.006938 -0.415001 0.020563 0.384074 -0.195901 0.173546 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -5.740142 27.661722 19.907872 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032097 -0.067519 -0.068455 -0.111862 0.234600 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -7.787594 28.469071 18.601564 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121103 -0.078949 0.001930 -0.434804 - octupole -0.128235 0.066191 -0.098878 0.110012 -0.100436 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -6.116228 32.650776 18.517351 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231615 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150223 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -7.718162 30.842515 17.449823 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301576 -0.166371 -0.195835 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 -7.608298 32.914848 16.478658 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006089 -0.183194 0.206575 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227648 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -8.293006 34.532034 14.776940 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226596 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -9.126683 29.266265 16.587964 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142766 -0.071307 -0.108121 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -10.852054 28.582492 15.001512 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -3.295974 27.106757 20.289190 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270648 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 -1.043495 26.779972 20.696974 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026718 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017862 -0.101437 -0.090246 0.034757 0.166575 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -1.847726 30.516814 20.213797 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254354 0.246051 0.014825 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -0.077396 28.937944 20.657444 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 0.290412 31.526668 20.401362 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027863 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 1.835420 33.405306 20.364812 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053653 0.238490 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084792 -0.000751 -0.009942 -0.105320 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -3.243914 27.146314 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -10.888016 28.033847 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.553962 33.695507 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -7.948000 34.958265 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.139393 29.243510 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.322606 31.544365 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.307592 26.748140 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.026065 31.785822 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.654509 27.721582 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.615851 32.940865 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.716681 29.331914 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.288804 30.668167 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.780578 30.422967 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.041354 29.103432 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.181679 32.568350 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.983327 30.538570 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.787112 28.581956 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.186806 31.050939 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.971437 34.779197 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.144327 28.088579 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.789929 35.728839 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.436338 27.401455 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.424716 26.481169 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.548972 25.534526 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.299723 33.081266 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.221331 28.986711 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.472974 33.877861 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.517899 28.712211 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.118537 34.186343 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.715871 33.527958 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.492494 33.288638 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.750601 27.642447 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.784513 27.208294 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.058441 27.045205 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.853326 34.510441 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -12.300278 36.987284 8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C -10.444942 39.714335 8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C -11.409239 42.218505 8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S -14.671620 42.955220 8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C -15.504144 40.603810 6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C -14.532757 38.208333 5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C -15.284420 36.459144 4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N -15.902174 34.973961 2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C -17.349798 41.360834 4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N -18.954886 41.971357 2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N -9.783282 44.065149 9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S -6.904281 42.872073 9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C -7.851087 39.749204 8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C -6.168667 37.694624 8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N -4.761073 35.991926 8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -12.300278 36.987284 8.155916 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -10.444942 39.714335 8.561752 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -11.409239 42.218505 8.633478 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -14.671620 42.955220 8.266597 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -15.504144 40.603810 6.020862 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -14.532757 38.208333 5.963116 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -15.284420 36.459144 4.078532 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -15.902174 34.973961 2.559680 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -17.349798 41.360834 4.239399 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -18.954886 41.971357 2.847959 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -9.783282 44.065149 9.029232 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -6.904281 42.872073 9.449046 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -7.851087 39.749204 8.950172 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -6.168667 37.694624 8.936881 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -4.761073 35.991926 8.877072 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -11.372610 38.350810 8.358834 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -10.927090 40.966420 8.597615 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -13.040429 42.586863 8.450038 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -15.087882 41.779515 7.143730 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -13.416518 37.597809 7.059516 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -15.018451 39.406071 5.991989 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -14.908589 37.333738 5.020824 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -15.593297 35.716552 3.319106 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -16.426971 40.982322 5.130130 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -18.152342 41.666096 3.543679 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -10.596260 43.141827 8.831355 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -8.343782 43.468611 9.239139 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -9.148014 39.731769 8.755962 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -7.377684 41.310638 9.199609 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -7.009877 38.721914 8.943527 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -5.464870 36.843275 8.906976 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -11.016969 40.916670 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -18.521619 41.261877 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.746409 36.553007 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -16.153618 35.738146 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.487096 39.197647 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.358728 43.203379 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.515775 43.040288 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.326355 38.462762 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.954796 42.527003 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.439681 41.005076 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.977683 38.704217 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.916141 37.307721 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.283615 39.710013 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.341642 41.145150 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.087400 41.666630 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.080867 39.825616 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.481969 37.680236 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.589093 39.580418 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.328854 35.469384 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.444616 42.160009 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.090221 34.519747 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.607879 43.500443 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.849258 44.714057 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.050888 42.606138 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.584314 36.720714 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.818187 41.536376 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.792784 36.959947 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.188304 42.214740 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.248292 35.290320 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.000590 37.167293 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.773264 36.370723 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.725003 43.767417 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.863948 42.847127 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.544201 43.102270 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.418827 36.062243 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -3.080683 30.601049 3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C -4.936019 33.328100 2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C -3.971722 35.832270 2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S -0.709341 36.568986 3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 0.123183 34.217575 5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C -0.848204 31.822098 5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C -0.096541 30.072909 7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 0.521213 28.587726 8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 1.968837 34.974599 7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 3.573925 35.585122 8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N -5.597679 37.678914 2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S -8.476680 36.485838 2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C -7.529874 33.362969 2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C -9.212293 31.308389 2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N -10.619888 29.605691 2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -3.080683 30.601049 3.301918 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -4.936019 33.328100 2.896083 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -3.971722 35.832270 2.824356 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -0.709341 36.568986 3.191237 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 0.123183 34.217575 5.436972 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -0.848204 31.822098 5.494719 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -0.096541 30.072909 7.379303 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 0.521213 28.587726 8.898155 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 1.968837 34.974599 7.218436 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 3.573925 35.585122 8.609875 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -5.597679 37.678914 2.428602 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -8.476680 36.485838 2.008788 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -7.529874 33.362969 2.507663 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -9.212293 31.308389 2.520953 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -10.619888 29.605691 2.580763 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -4.008351 31.964575 3.099001 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -4.453871 34.580185 2.860220 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -2.340532 36.200628 3.007797 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -0.293079 35.393280 4.314105 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -1.964443 31.211574 4.398319 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -0.362510 33.019836 5.465846 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -0.472372 30.947503 6.437011 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 0.212336 29.330317 8.138729 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 1.046010 34.596087 6.327704 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 2.771381 35.279861 7.914156 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -4.784700 36.755592 2.626479 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -7.037179 37.082376 2.218695 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -6.232947 33.345534 2.701873 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -8.003277 34.924403 2.258226 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -8.371084 32.335679 2.514308 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -9.916091 30.457040 2.550858 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -4.363992 34.530435 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 3.140658 34.875642 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.634552 30.166772 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 0.772657 29.351911 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.106135 32.811412 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.022233 36.817144 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.865186 36.654053 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.054606 32.076527 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.426164 36.140768 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.058720 34.618841 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.403278 32.317982 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.464819 30.921486 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.097346 33.323778 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.039319 34.758915 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.293561 35.280395 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.300094 33.439381 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.898992 31.294001 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.791868 33.194183 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.052107 29.083149 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.063655 35.773774 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.709261 28.133512 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.773082 37.114208 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.531703 38.327822 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.330072 36.219903 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.796647 30.334479 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.437226 35.150141 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.588177 30.573712 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.807343 35.828505 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.132669 28.904085 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.380371 30.781058 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.607697 29.984488 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.655958 37.381182 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.517013 36.460892 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.836760 36.716035 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.037866 29.676008 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 12.300278 39.647535 -8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 10.444942 36.920485 -8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 11.409239 34.416314 -8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 14.671620 33.679599 -8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 15.504144 36.031010 -6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 14.532757 38.426487 -5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 15.284420 40.175676 -4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 15.902174 41.660859 -2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 17.349798 35.273985 -4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 18.954886 34.663462 -2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 9.783282 32.569670 -9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 6.904281 33.762747 -9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.851087 36.885615 -8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 6.168667 38.940195 -8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 4.761073 40.642893 -8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 12.300278 39.647535 -8.155916 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole -0.081100 -0.120946 0.015291 0.151351 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 10.444942 36.920485 -8.561752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081135 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 11.409239 34.416314 -8.633478 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 14.671620 33.679599 -8.266597 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole 0.376726 0.162146 0.007751 -0.064505 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 15.504144 36.031010 -6.020862 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 14.532757 38.426487 -5.963116 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160108 -0.001747 -0.175099 0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 15.284420 40.175676 -4.078532 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 15.902174 41.660859 -2.559680 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 17.349798 35.273985 -4.239399 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049997 0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 18.954886 34.663462 -2.847959 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 9.783282 32.569670 -9.029232 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 6.904281 33.762747 -9.449046 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079017 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.851087 36.885615 -8.950172 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033077 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 6.168667 38.940195 -8.936881 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 4.761073 40.642893 -8.877072 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 11.372610 38.284010 -8.358834 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064489 -0.081833 0.097858 0.020810 0.250721 0.061022 -0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 10.927090 35.668399 -8.597615 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole -0.006937 -0.415001 -0.020564 0.384074 0.195901 -0.173547 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 13.040429 34.047957 -8.450038 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032096 0.067519 -0.068455 0.111862 -0.234599 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 15.087882 34.855304 -7.143730 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole 0.128236 0.066192 0.098878 0.110011 0.100435 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 13.416518 39.037011 -7.059516 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150222 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 15.018451 37.228748 -5.991989 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301575 0.166371 0.195836 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 14.908589 39.301081 -5.020824 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227647 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 15.593297 40.918267 -3.319106 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 16.426971 35.652497 -5.130130 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 18.152342 34.968724 -3.543679 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 10.596260 33.492992 -8.831355 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 8.343782 33.166209 -9.239139 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017861 0.101437 -0.090246 -0.034757 -0.166574 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 9.148014 36.903050 -8.755962 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254353 -0.246051 0.014826 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 7.377684 35.324181 -9.199609 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 7.009877 37.912905 -8.943527 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027862 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 5.464870 39.791544 -8.906976 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084793 -0.000751 0.009942 -0.105319 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 10.544201 33.532549 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 18.188304 34.420079 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.746327 40.081745 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 15.248291 41.344499 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.439681 35.629743 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.977683 37.930602 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.607879 33.134376 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.326355 38.172057 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.954796 34.107816 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.916141 39.327098 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.016969 35.718149 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.589093 37.054401 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.080866 36.809204 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.341642 35.489670 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.481969 38.954584 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.283615 36.924806 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.087400 34.968190 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.487096 37.437172 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.328854 41.165436 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.444616 34.474811 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.090221 42.115072 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.863949 33.787692 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.725003 32.867403 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.849258 31.920762 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.000566 39.467504 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.521619 35.372942 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.773264 40.264096 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.818187 35.098443 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.418828 40.572576 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.584419 39.914196 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.792784 39.674872 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.050888 34.028681 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.515774 33.594532 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.358728 33.431441 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.153617 40.896674 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 3.080683 46.033770 -3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 4.936019 43.306720 -2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.971722 40.802549 -2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 0.709341 40.065834 -3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C -0.123183 42.417244 -5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 0.848204 44.812722 -5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 0.096541 46.561911 -7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N -0.521213 48.047093 -8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C -1.968837 41.660220 -7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N -3.573925 41.049697 -8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 5.597679 38.955905 -2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 8.476680 40.148982 -2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.529874 43.271850 -2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 9.212293 45.326430 -2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 10.619888 47.029128 -2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 3.080683 46.033770 -3.301918 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole 0.081100 -0.120946 -0.015291 0.151351 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 4.936019 43.306720 -2.896083 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081135 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 3.971722 40.802549 -2.824356 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 0.709341 40.065834 -3.191237 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole -0.376726 0.162146 -0.007751 -0.064505 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -0.123183 42.417244 -5.436972 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 0.848204 44.812722 -5.494719 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160108 0.001747 0.175099 -0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 0.096541 46.561911 -7.379303 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -0.521213 48.047093 -8.898155 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -1.968837 41.660220 -7.218436 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049997 -0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -3.573925 41.049697 -8.609875 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 5.597679 38.955905 -2.428602 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 8.476680 40.148982 -2.008788 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079017 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.529874 43.271850 -2.507663 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033077 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 9.212293 45.326430 -2.520953 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 10.619888 47.029128 -2.580763 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 4.008351 44.670245 -3.099001 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064489 0.081833 0.097858 -0.020810 -0.250721 -0.061022 0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 4.453871 42.054634 -2.860220 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole 0.006937 -0.415001 0.020564 0.384074 -0.195901 0.173547 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 2.340532 40.434192 -3.007797 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032096 -0.067519 -0.068455 -0.111862 0.234599 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 0.293079 41.241539 -4.314105 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole -0.128236 0.066192 -0.098878 0.110011 -0.100435 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 1.964443 45.423246 -4.398319 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150222 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 0.362510 43.614983 -5.465846 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301575 -0.166371 -0.195836 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 0.472372 45.687316 -6.437011 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227647 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -0.212336 47.304502 -8.138729 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -1.046010 42.038732 -6.327704 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -2.771381 41.354959 -7.914156 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 4.784700 39.879227 -2.626479 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 7.037179 39.552444 -2.218695 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017861 -0.101437 -0.090246 0.034757 0.166574 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 6.232947 43.289285 -2.701873 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254353 0.246051 0.014826 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 8.003277 41.710416 -2.258226 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 8.371084 44.299140 -2.514308 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027862 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 9.916091 46.177779 -2.550858 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084793 -0.000751 -0.009942 -0.105319 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 4.836760 39.918784 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -2.807344 40.806314 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.634633 46.467980 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 0.132670 47.730734 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.058720 42.015978 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.403278 44.316837 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.773082 39.520611 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.054606 44.558292 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.426164 40.494051 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.464819 45.713333 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.363992 42.104384 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.791868 43.440636 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.300094 43.195439 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.039319 41.875905 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.898992 45.340819 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.097346 43.311041 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.293561 41.354425 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.106135 43.823407 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.052107 47.551671 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.063655 40.861046 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.709261 48.501307 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.517012 40.173927 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.655958 39.253638 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.531703 38.306997 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.380395 45.853739 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.140658 41.759177 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.607697 46.650331 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.437226 41.484678 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.037867 46.958811 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.796542 46.300431 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.588177 46.061107 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.330072 40.414916 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.865186 39.980766 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.022233 39.817676 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.772656 47.282909 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -20.380949 36.987284 31.071586 - znuc, mass 16.000000 31.972070 - - Atom A02C -18.525613 39.714335 31.477421 - znuc, mass 6.000000 12.000000 - - Atom A03C -19.489910 42.218505 31.549148 - znuc, mass 6.000000 12.000000 - - Atom A04S -22.752291 42.955220 31.182267 - znuc, mass 16.000000 31.972070 - - Atom A05C -23.584815 40.603810 28.936532 - znuc, mass 6.000000 12.000000 - - Atom A06C -22.613428 38.208333 28.878785 - znuc, mass 6.000000 12.000000 - - Atom A07C -23.365091 36.459144 26.994201 - znuc, mass 6.000000 12.000000 - - Atom A08N -23.982845 34.973961 25.475349 - znuc, mass 7.000000 14.003070 - - Atom A09C -25.430469 41.360834 27.155068 - znuc, mass 6.000000 12.000000 - - Atom A10N -27.035557 41.971357 25.763629 - znuc, mass 7.000000 14.003070 - - Atom A11N -17.863954 44.065149 31.944902 - znuc, mass 7.000000 14.003070 - - Atom A12S -14.984952 42.872073 32.364716 - znuc, mass 16.000000 31.972070 - - Atom A13C -15.931758 39.749204 31.865841 - znuc, mass 6.000000 12.000000 - - Atom A14C -14.249339 37.694624 31.852551 - znuc, mass 6.000000 12.000000 - - Atom A15N -12.841744 35.991926 31.792741 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -20.380949 36.987284 31.071586 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -18.525613 39.714335 31.477421 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -19.489910 42.218505 31.549148 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -22.752291 42.955220 31.182267 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -23.584815 40.603810 28.936532 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -22.613428 38.208333 28.878785 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -23.365091 36.459144 26.994201 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -23.982845 34.973961 25.475349 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -25.430469 41.360834 27.155068 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -27.035557 41.971357 25.763629 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -17.863954 44.065149 31.944902 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -14.984952 42.872073 32.364716 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -15.931758 39.749204 31.865841 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -14.249339 37.694624 31.852551 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -12.841744 35.991926 31.792741 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -19.453281 38.350810 31.274503 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -19.007761 40.966420 31.513284 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -21.121100 42.586863 31.365707 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -23.168553 41.779515 30.059399 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -21.497189 37.597809 29.975185 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -23.099122 39.406071 28.907658 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -22.989260 37.333738 27.936493 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -23.673968 35.716552 26.234775 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -24.507642 40.982322 28.045800 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -26.233013 41.666096 26.459348 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -18.676932 43.141827 31.747025 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -16.424453 43.468611 32.154809 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -17.228685 39.731769 31.671631 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -15.458355 41.310638 32.115278 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -15.090548 38.721914 31.859196 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -13.545541 36.843275 31.822646 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -19.097640 40.916670 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -26.602290 41.261877 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.827080 36.553007 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -24.234289 35.738146 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.567767 39.197647 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.439399 43.203379 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.596446 43.040288 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.407026 38.462762 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.035468 42.527003 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.520352 41.005076 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.058354 38.704217 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.996813 37.307721 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.364286 39.710013 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.422313 41.145150 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.168071 41.666630 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.161538 39.825616 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.562640 37.680236 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.669764 39.580418 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.409525 35.469384 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -27.525287 42.160009 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.170893 34.519747 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.688550 43.500443 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.929929 44.714057 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.131560 42.606138 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.664985 36.720714 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -25.898858 41.536376 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -20.873455 36.959947 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.268976 42.214740 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.328963 35.290320 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.081261 37.167293 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.853935 36.370723 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.805674 43.767417 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.944619 42.847127 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.624872 43.102270 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.499498 36.062243 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S -11.161354 30.601049 26.217588 - znuc, mass 16.000000 31.972070 - - Atom A02C -13.016690 33.328100 25.811752 - znuc, mass 6.000000 12.000000 - - Atom A03C -12.052393 35.832270 25.740026 - znuc, mass 6.000000 12.000000 - - Atom A04S -8.790012 36.568986 26.106907 - znuc, mass 16.000000 31.972070 - - Atom A05C -7.957488 34.217575 28.352642 - znuc, mass 6.000000 12.000000 - - Atom A06C -8.928875 31.822098 28.410388 - znuc, mass 6.000000 12.000000 - - Atom A07C -8.177212 30.072909 30.294972 - znuc, mass 6.000000 12.000000 - - Atom A08N -7.559458 28.587726 31.813824 - znuc, mass 7.000000 14.003070 - - Atom A09C -6.111834 34.974599 30.134105 - znuc, mass 6.000000 12.000000 - - Atom A10N -4.506746 35.585122 31.525545 - znuc, mass 7.000000 14.003070 - - Atom A11N -13.678350 37.678914 25.344272 - znuc, mass 7.000000 14.003070 - - Atom A12S -16.557351 36.485838 24.924458 - znuc, mass 16.000000 31.972070 - - Atom A13C -15.610545 33.362969 25.423332 - znuc, mass 6.000000 12.000000 - - Atom A14C -17.292965 31.308389 25.436623 - znuc, mass 6.000000 12.000000 - - Atom A15N -18.700559 29.605691 25.496432 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -11.161354 30.601049 26.217588 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -13.016690 33.328100 25.811752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C -12.052393 35.832270 25.740026 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -8.790012 36.568986 26.106907 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -7.957488 34.217575 28.352642 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C -8.928875 31.822098 28.410388 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -8.177212 30.072909 30.294972 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -7.559458 28.587726 31.813824 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -6.111834 34.974599 30.134105 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -4.506746 35.585122 31.525545 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -13.678350 37.678914 25.344272 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -16.557351 36.485838 24.924458 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -15.610545 33.362969 25.423332 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -17.292965 31.308389 25.436623 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -18.700559 29.605691 25.496432 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -12.089022 31.964575 26.014670 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -12.534542 34.580185 25.775889 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -10.421203 36.200628 25.923466 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -8.373750 35.393280 27.229774 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -10.045114 31.211574 27.313988 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -8.443181 33.019836 28.381515 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -8.553043 30.947503 29.352680 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -7.868335 29.330317 31.054398 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -7.034661 34.596087 29.243374 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -5.309290 35.279861 30.829825 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -12.865372 36.755592 25.542149 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 -15.117850 37.082376 25.134365 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -14.313618 33.345534 25.617542 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -16.083948 34.924403 25.173895 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 -16.451755 32.335679 25.429977 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -17.996762 30.457040 25.466528 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -12.444663 34.530435 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -4.940013 34.875642 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.715223 30.166772 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -7.308014 29.351911 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.974536 32.811412 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.102904 36.817144 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.945857 36.654053 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.135277 32.076527 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.506836 36.140768 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.021951 34.618841 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.483949 32.317982 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.545491 30.921486 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.178017 33.323778 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.119990 34.758915 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.374232 35.280395 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.380765 33.439381 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.979663 31.294001 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.872539 33.194183 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.132779 29.083149 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.017016 35.773774 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.371411 28.133512 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.853753 37.114208 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.612374 38.327822 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.410744 36.219903 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.877318 30.334479 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.643445 35.150141 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.668848 30.573712 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.273328 35.828505 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.213340 28.904085 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.461042 30.781058 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.688368 29.984488 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.736629 37.381182 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.597684 36.460892 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.917431 36.716035 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.042805 29.676008 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 4.219605 39.647535 14.759753 - znuc, mass 16.000000 31.972070 - - Atom A02C 2.364270 36.920484 14.353917 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.328568 34.416314 14.282191 - znuc, mass 6.000000 12.000000 - - Atom A04S 6.590950 33.679600 14.649073 - znuc, mass 16.000000 31.972070 - - Atom A05C 7.423473 36.031011 16.894808 - znuc, mass 6.000000 12.000000 - - Atom A06C 6.452084 38.426488 16.952554 - znuc, mass 6.000000 12.000000 - - Atom A07C 7.203746 40.175677 18.837138 - znuc, mass 6.000000 12.000000 - - Atom A08N 7.821499 41.660861 20.355990 - znuc, mass 7.000000 14.003070 - - Atom A09C 9.269126 35.273988 18.676272 - znuc, mass 6.000000 12.000000 - - Atom A10N 10.874214 34.663465 20.067712 - znuc, mass 7.000000 14.003070 - - Atom A11N 1.702613 32.569669 13.886437 - znuc, mass 7.000000 14.003070 - - Atom A12S -1.176389 33.762744 13.466623 - znuc, mass 16.000000 31.972070 - - Atom A13C -0.229585 36.885613 13.965497 - znuc, mass 6.000000 12.000000 - - Atom A14C -1.912005 38.940193 13.978787 - znuc, mass 6.000000 12.000000 - - Atom A15N -3.319600 40.642890 14.038596 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 4.219605 39.647535 14.759753 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200252 0.667129 -0.867381 0.820424 2.014536 -0.644901 - octupole -0.081100 -0.120945 0.015291 0.151350 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 2.364270 36.920484 14.353917 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026088 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081134 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 3.328568 34.416314 14.282191 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 6.590950 33.679600 14.649073 - znuc, monopole 16.000000 -15.424149 - dipole -0.645105 0.702589 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883321 - octupole 0.376726 0.162146 0.007751 -0.064504 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 7.423473 36.031011 16.894808 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172782 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 6.452084 38.426488 16.952554 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160109 -0.001747 -0.175100 0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 7.203746 40.175677 18.837138 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 7.821499 41.660861 20.355990 - znuc, monopole 7.000000 -6.844356 - dipole -0.128196 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 9.269126 35.273988 18.676272 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065351 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049998 0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 10.874214 34.663465 20.067712 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 1.702613 32.569669 13.886437 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109388 -0.037751 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S -1.176389 33.762744 13.466623 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657691 1.380421 -2.038112 -0.516799 0.477705 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079016 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -0.229585 36.885613 13.965497 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102512 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033078 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C -1.912005 38.940193 13.978787 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447125 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N -3.319600 40.642890 14.038596 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013044 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 3.291938 38.284009 14.556835 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127967 0.303138 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064490 -0.081833 0.097857 0.020810 0.250721 0.061023 -0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 2.846419 35.668399 14.318054 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099040 0.017364 - octupole -0.006938 -0.415001 -0.020563 0.384074 0.195901 -0.173546 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 4.959759 34.047957 14.465632 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032097 0.067519 -0.068455 0.111862 -0.234600 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 7.007211 34.855306 15.771940 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121103 0.078949 0.001930 0.434804 - octupole 0.128235 0.066191 0.098878 0.110012 0.100436 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 5.335845 39.037011 15.856154 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231615 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150223 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 6.937778 37.228750 16.923681 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301576 0.166371 0.195835 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 6.827915 39.301083 17.894846 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006089 -0.183194 -0.206575 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227648 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 7.512622 40.918269 19.596564 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226596 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 8.346300 35.652500 17.785540 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142766 -0.071307 0.108121 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 10.071670 34.968727 19.371992 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 2.515590 33.492991 14.084314 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270648 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 0.263112 33.166207 13.676530 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026718 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017862 0.101437 -0.090246 -0.034757 -0.166575 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 1.067343 36.903049 14.159707 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254354 -0.246051 0.014825 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -0.702987 35.324179 13.716060 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 -1.070795 37.912903 13.972142 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027863 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 -2.615803 39.791541 14.008692 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053653 0.238490 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084792 -0.000751 0.009942 -0.105320 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 2.463531 33.532549 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 10.107633 34.420082 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.334346 40.081742 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 7.167617 41.344500 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.359009 35.629745 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.102989 37.930600 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.527209 33.134375 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.245682 38.172057 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.874126 34.107816 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.835468 39.327100 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.936298 35.718149 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.508421 37.054402 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.000195 36.809202 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.739029 35.489667 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.401296 38.954584 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.202943 36.924805 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.006729 34.968191 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.406423 37.437174 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.751820 41.165432 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.363944 34.474814 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.009546 42.115074 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.216721 33.787690 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.644333 32.867404 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.768589 31.920761 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.080107 39.467501 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.440947 35.372946 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.692591 40.264096 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.737515 35.098446 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.338154 40.572578 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.496254 39.914193 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.712111 39.674873 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.970218 34.028682 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.564896 33.594529 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.278058 33.431440 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.072943 40.896676 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S -4.999989 46.033770 19.613751 - znuc, mass 16.000000 31.972070 - - Atom A02C -3.144653 43.306719 20.019587 - znuc, mass 6.000000 12.000000 - - Atom A03C -4.108951 40.802549 20.091313 - znuc, mass 6.000000 12.000000 - - Atom A04S -7.371333 40.065835 19.724431 - znuc, mass 16.000000 31.972070 - - Atom A05C -8.203856 42.417246 17.478696 - znuc, mass 6.000000 12.000000 - - Atom A06C -7.232468 44.812723 17.420950 - znuc, mass 6.000000 12.000000 - - Atom A07C -7.984129 46.561912 15.536366 - znuc, mass 6.000000 12.000000 - - Atom A08N -8.601882 48.047096 14.017514 - znuc, mass 7.000000 14.003070 - - Atom A09C -10.049510 41.660223 15.697232 - znuc, mass 6.000000 12.000000 - - Atom A10N -11.654598 41.049700 14.305792 - znuc, mass 7.000000 14.003070 - - Atom A11N -2.482996 38.955904 20.487067 - znuc, mass 7.000000 14.003070 - - Atom A12S 0.396006 40.148979 20.906881 - znuc, mass 16.000000 31.972070 - - Atom A13C -0.550798 43.271848 20.408007 - znuc, mass 6.000000 12.000000 - - Atom A14C 1.131622 45.326428 20.394717 - znuc, mass 6.000000 12.000000 - - Atom A15N 2.539217 47.029125 20.334908 - znuc, mass 7.000000 14.003070 - - Multipole point A01S -4.999989 46.033770 19.613751 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200252 0.667129 -0.867381 -0.820424 2.014536 0.644901 - octupole 0.081100 -0.120945 -0.015291 0.151350 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C -3.144653 43.306719 20.019587 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026088 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081134 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C -4.108951 40.802549 20.091313 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -7.371333 40.065835 19.724431 - znuc, monopole 16.000000 -15.424149 - dipole 0.645105 0.702589 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883321 - octupole -0.376726 0.162146 -0.007751 -0.064504 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -8.203856 42.417246 17.478696 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172782 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C -7.232468 44.812723 17.420950 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160109 0.001747 0.175100 -0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -7.984129 46.561912 15.536366 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -8.601882 48.047096 14.017514 - znuc, monopole 7.000000 -6.844356 - dipole 0.128196 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -10.049510 41.660223 15.697232 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065351 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049998 -0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -11.654598 41.049700 14.305792 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N -2.482996 38.955904 20.487067 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109388 0.037751 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 0.396006 40.148979 20.906881 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657691 1.380421 -2.038112 0.516799 0.477705 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079016 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C -0.550798 43.271848 20.408007 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102512 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033078 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 1.131622 45.326428 20.394717 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447125 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 2.539217 47.029125 20.334908 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013044 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 -4.072321 44.670244 19.816669 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127967 0.303138 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064490 0.081833 0.097857 -0.020810 -0.250721 -0.061023 0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 -3.626802 42.054634 20.055450 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099040 -0.017364 - octupole 0.006938 -0.415001 0.020563 0.384074 -0.195901 0.173546 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 -5.740142 40.434192 19.907872 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032097 -0.067519 -0.068455 -0.111862 0.234600 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -7.787594 41.241541 18.601564 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121103 -0.078949 0.001930 -0.434804 - octupole -0.128235 0.066191 -0.098878 0.110012 -0.100436 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 -6.116228 45.423246 18.517351 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231615 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150223 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -7.718162 43.614984 17.449823 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301576 -0.166371 -0.195835 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 -7.608298 45.687318 16.478658 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006089 -0.183194 0.206575 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227648 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -8.293006 47.304504 14.776940 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226596 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -9.126683 42.038734 16.587964 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142766 -0.071307 -0.108121 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -10.852054 41.354962 15.001512 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 -3.295974 39.879226 20.289190 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270648 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 -1.043495 39.552442 20.696974 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026718 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017862 -0.101437 -0.090246 0.034757 0.166575 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 -1.847726 43.289284 20.213797 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254354 0.246051 0.014825 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 -0.077396 41.710414 20.657444 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 0.290412 44.299138 20.401362 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027863 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 1.835420 46.177776 20.364812 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053653 0.238490 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084792 -0.000751 -0.009942 -0.105320 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords -3.243914 39.918783 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -10.888016 40.806317 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.553962 46.467977 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -7.948000 47.730735 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.139393 42.015980 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.322606 44.316835 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.307592 39.520610 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.026065 44.558292 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.654509 40.494051 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.615851 45.713335 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.716681 42.104384 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.288804 43.440637 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.780578 43.195437 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.041354 41.875902 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.181679 45.340819 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.983327 43.311040 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.787112 41.354426 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.186806 43.823409 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.971437 47.551667 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.144327 40.861049 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.789929 48.501309 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.436338 40.173925 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.424716 39.253639 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.548972 38.306996 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.299723 45.853736 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.221331 41.759181 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.472974 46.650331 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.517899 41.484681 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.118537 46.958813 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.715871 46.300428 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.492494 46.061107 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.750601 40.414917 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.784513 39.980764 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.058441 39.817675 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.853326 47.282911 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 10.380970 -1.330125 8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 12.236307 1.396925 8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 11.272010 3.901095 8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 8.009629 4.637811 8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 7.177104 2.286400 6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 8.148492 -0.109077 5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 7.396829 -1.858266 4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 6.779075 -3.343449 2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 5.331451 3.043424 4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 3.726363 3.653948 2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 12.897966 5.747739 9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 15.776968 4.554663 9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 14.830162 1.431794 8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 16.512581 -0.622786 8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 17.920176 -2.325484 8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 10.380970 -1.330125 8.155916 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 12.236307 1.396925 8.561752 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 11.272010 3.901095 8.633478 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 8.009629 4.637811 8.266597 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 7.177104 2.286400 6.020862 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 8.148492 -0.109077 5.963116 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 7.396829 -1.858266 4.078532 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 6.779075 -3.343449 2.559680 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 5.331451 3.043424 4.239399 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 3.726363 3.653948 2.847959 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 12.897966 5.747739 9.029232 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 15.776968 4.554663 9.449046 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 14.830162 1.431794 8.950172 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 16.512581 -0.622786 8.936881 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 17.920176 -2.325484 8.877072 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 11.308639 0.033400 8.358834 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 11.754159 2.649010 8.597615 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 9.640820 4.269453 8.450038 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 7.593367 3.462105 7.143730 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 9.264731 -0.719601 7.059516 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 7.662798 1.088662 5.991989 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 7.772660 -0.983671 5.020824 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 7.087952 -2.600857 3.319106 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 6.254278 2.664912 5.130130 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 4.528907 3.348686 3.543679 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 12.084988 4.824417 8.831355 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 14.337467 5.151201 9.239139 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 13.533235 1.414360 8.755962 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 15.303565 2.993229 9.199609 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 15.671372 0.404504 8.943527 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 17.216379 -1.474135 8.906976 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 11.664279 2.599261 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 4.159630 2.944467 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.934840 -1.764403 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 6.527631 -2.579263 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.194153 0.880237 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.322521 4.885969 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.165474 4.722878 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.354894 0.145353 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.726452 4.209593 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.241568 2.687667 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.703566 0.386808 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.765107 -1.009688 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.397634 1.392603 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.339607 2.827740 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.593849 3.349220 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.600382 1.508206 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.199280 -0.637174 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.092155 1.263009 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.352395 -2.848026 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.236633 3.842599 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.591027 -3.797662 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.073370 5.183033 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.831991 6.396648 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.630360 4.288729 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.096935 -1.596696 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.863062 3.218967 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.888465 -1.357463 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.492944 3.897331 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.432957 -3.027089 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.680659 -1.150117 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.907985 -1.946686 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.956246 5.450007 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.817300 4.529718 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.137048 4.784860 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.262422 -2.255167 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 19.600566 -7.716360 3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 17.745230 -4.989310 2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 18.709526 -2.485140 2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 21.971908 -1.748424 3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 22.804432 -4.099835 5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 21.833045 -6.495312 5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 22.584708 -8.244501 7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 23.202461 -9.729684 8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 24.650086 -3.342811 7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 26.255174 -2.732287 8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 17.083570 -0.638496 2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 14.204569 -1.831572 2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 15.151375 -4.954441 2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 13.468955 -7.009021 2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 12.061361 -8.711719 2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 19.600566 -7.716360 3.301918 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 17.745230 -4.989310 2.896083 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 18.709526 -2.485140 2.824356 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 21.971908 -1.748424 3.191237 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 22.804432 -4.099835 5.436972 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 21.833045 -6.495312 5.494719 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 22.584708 -8.244501 7.379303 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 23.202461 -9.729684 8.898155 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 24.650086 -3.342811 7.218436 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 26.255174 -2.732287 8.609875 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 17.083570 -0.638496 2.428602 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 14.204569 -1.831572 2.008788 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 15.151375 -4.954441 2.507663 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 13.468955 -7.009021 2.520953 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 12.061361 -8.711719 2.580763 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 18.672898 -6.352835 3.099001 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 18.227378 -3.737225 2.860220 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 20.340717 -2.116782 3.007797 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 22.388170 -2.924129 4.314105 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 20.716806 -7.105836 4.398319 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 22.318739 -5.297573 5.465846 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 22.208877 -7.369906 6.437011 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 22.893585 -8.987092 8.138729 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 23.727259 -3.721323 6.327704 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 25.452630 -3.037549 7.914156 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 17.896548 -1.561818 2.626479 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 15.644070 -1.235034 2.218695 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 16.448302 -4.971875 2.701873 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 14.677972 -3.393006 2.258226 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 14.310165 -5.981731 2.514308 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 12.765158 -7.860370 2.550858 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 18.317257 -3.786974 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 25.821907 -3.441768 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.046697 -8.150638 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 23.453906 -8.965498 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.787384 -5.505998 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.659016 -1.500266 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.816063 -1.663357 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.626643 -6.240882 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.255084 -2.176641 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.739969 -3.698568 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.277971 -5.999427 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.216429 -7.395923 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.583903 -4.993632 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.641930 -3.558495 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.387688 -3.037015 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.381154 -4.878029 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.782257 -7.023409 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.889381 -5.123226 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.629141 -9.234261 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.744904 -2.543636 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.390509 -10.183897 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.908167 -1.203202 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.149546 0.010413 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.351176 -2.097506 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.884602 -7.982931 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.118475 -3.167268 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.093072 -7.743698 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.488592 -2.488904 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.548580 -9.413324 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.300878 -7.536352 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.073552 -8.332921 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.025291 -0.936228 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.164236 -1.856517 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.844488 -1.601375 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.719115 -8.641402 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 34.981527 1.330125 -8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 33.126190 -1.396925 -8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 34.090487 -3.901095 -8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 37.352869 -4.637811 -8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 38.185393 -2.286400 -6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 37.214006 0.109077 -5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 37.965669 1.858266 -4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 38.583422 3.343449 -2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 40.031047 -3.043424 -4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 41.636135 -3.653948 -2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 32.464531 -5.747739 -9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 29.585530 -4.554663 -9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 30.532336 -1.431794 -8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 28.849916 0.622786 -8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 27.442322 2.325484 -8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 34.981527 1.330125 -8.155916 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole -0.081100 -0.120946 0.015291 0.151351 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 33.126190 -1.396925 -8.561752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081135 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 34.090487 -3.901095 -8.633478 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 37.352869 -4.637811 -8.266597 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole 0.376726 0.162146 0.007751 -0.064505 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 38.185393 -2.286400 -6.020862 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 37.214006 0.109077 -5.963116 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160108 -0.001747 -0.175099 0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 37.965669 1.858266 -4.078532 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 38.583422 3.343449 -2.559680 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 40.031047 -3.043424 -4.239399 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049997 0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 41.636135 -3.653948 -2.847959 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 32.464531 -5.747739 -9.029232 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 29.585530 -4.554663 -9.449046 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079017 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 30.532336 -1.431794 -8.950172 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033077 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 28.849916 0.622786 -8.936881 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 27.442322 2.325484 -8.877072 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 34.053859 -0.033400 -8.358834 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064489 -0.081833 0.097858 0.020810 0.250721 0.061022 -0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 33.608339 -2.649010 -8.597615 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole -0.006937 -0.415001 -0.020564 0.384074 0.195901 -0.173547 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 35.721678 -4.269453 -8.450038 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032096 0.067519 -0.068455 0.111862 -0.234599 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 37.769131 -3.462105 -7.143730 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole 0.128236 0.066192 0.098878 0.110011 0.100435 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 36.097767 0.719601 -7.059516 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150222 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 37.699700 -1.088662 -5.991989 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301575 0.166371 0.195836 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 37.589838 0.983671 -5.020824 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227647 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 38.274546 2.600857 -3.319106 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 39.108220 -2.664912 -5.130130 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 40.833591 -3.348686 -3.543679 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 33.277509 -4.824417 -8.831355 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 31.025031 -5.151201 -9.239139 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017861 0.101437 -0.090246 -0.034757 -0.166574 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 31.829263 -1.414360 -8.755962 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254353 -0.246051 0.014826 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 30.058933 -2.993229 -9.199609 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 29.691126 -0.404504 -8.943527 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027862 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 28.146119 1.474135 -8.906976 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084793 -0.000751 0.009942 -0.105319 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 33.225449 -4.784860 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 40.869553 -3.897331 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.427576 1.764335 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 37.929540 3.027089 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 39.120930 -2.687667 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.658932 -0.386808 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.289127 -5.183033 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.007603 -0.145353 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.636045 -4.209593 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.597390 1.009688 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.698218 -2.599261 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.270342 -1.263009 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.762115 -1.508206 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.022891 -2.827740 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 36.163218 0.637174 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.964864 -1.392603 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.768649 -3.349220 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.168344 -0.880237 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.010102 2.848026 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 42.125865 -3.842599 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.771470 3.797662 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.545198 -4.529717 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.406252 -5.450007 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.530507 -6.396648 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.681815 1.150095 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 41.202868 -2.944467 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.454513 1.946686 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.499436 -3.218967 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.100077 2.255166 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.265668 1.596786 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.474033 1.357463 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.732137 -4.288728 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.197023 -4.722878 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.039977 -4.885969 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.834866 2.579264 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 25.761931 7.716360 -3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 27.617268 4.989310 -2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 26.652971 2.485140 -2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 23.390590 1.748424 -3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 22.558065 4.099835 -5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 23.529453 6.495312 -5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 22.777789 8.244501 -7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 22.160036 9.729684 -8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 20.712412 3.342811 -7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 19.107324 2.732287 -8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 28.278927 0.638496 -2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 31.157929 1.831572 -2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 30.211123 4.954441 -2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 31.893542 7.009021 -2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 33.301137 8.711719 -2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 25.761931 7.716360 -3.301918 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole 0.081100 -0.120946 -0.015291 0.151351 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 27.617268 4.989310 -2.896083 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081135 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 26.652971 2.485140 -2.824356 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 23.390590 1.748424 -3.191237 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole -0.376726 0.162146 -0.007751 -0.064505 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 22.558065 4.099835 -5.436972 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 23.529453 6.495312 -5.494719 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160108 0.001747 0.175099 -0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 22.777789 8.244501 -7.379303 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 22.160036 9.729684 -8.898155 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 20.712412 3.342811 -7.218436 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049997 -0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 19.107324 2.732287 -8.609875 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 28.278927 0.638496 -2.428602 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 31.157929 1.831572 -2.008788 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079017 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 30.211123 4.954441 -2.507663 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033077 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 31.893542 7.009021 -2.520953 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 33.301137 8.711719 -2.580763 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 26.689600 6.352835 -3.099001 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064489 0.081833 0.097858 -0.020810 -0.250721 -0.061022 0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 27.135120 3.737225 -2.860220 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole 0.006937 -0.415001 0.020564 0.384074 -0.195901 0.173547 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 25.021781 2.116782 -3.007797 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032096 -0.067519 -0.068455 -0.111862 0.234599 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 22.974328 2.924129 -4.314105 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole -0.128236 0.066192 -0.098878 0.110011 -0.100435 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 24.645692 7.105836 -4.398319 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150222 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 23.043759 5.297573 -5.465846 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301575 -0.166371 -0.195836 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 23.153621 7.369906 -6.437011 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227647 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 22.468913 8.987092 -8.138729 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 21.635238 3.721323 -6.327704 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 19.909868 3.037549 -7.914156 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 27.465949 1.561818 -2.626479 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 29.718428 1.235034 -2.218695 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017861 -0.101437 -0.090246 0.034757 0.166574 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 28.914196 4.971875 -2.701873 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254353 0.246051 0.014826 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 30.684526 3.393006 -2.258226 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 31.052333 5.981731 -2.514308 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027862 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 32.597340 7.860370 -2.550858 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084793 -0.000751 -0.009942 -0.105319 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 27.518009 1.601375 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 19.873905 2.488904 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.315882 8.150570 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 22.813919 9.413324 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.622529 3.698568 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.084527 5.999427 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.454331 1.203202 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.735855 6.240882 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.107413 2.176641 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.146068 7.395923 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.045240 3.786974 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.473116 5.123226 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.981343 4.878029 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.720568 3.558495 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.580241 7.023409 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.778595 4.993632 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.974810 3.037015 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.575114 5.505998 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.733356 9.234261 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.617594 2.543636 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.971988 10.183897 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.198261 1.856518 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.337207 0.936228 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.212952 -0.010413 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.061644 7.536330 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.540590 3.441768 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.288946 8.332921 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.244023 3.167268 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.643382 8.641401 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.477790 7.983021 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.269426 7.743698 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.011321 2.097506 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.546435 1.663357 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.703482 1.500266 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.908592 8.965499 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 2.300299 -1.330125 31.071586 - znuc, mass 16.000000 31.972070 - - Atom A02C 4.155636 1.396925 31.477421 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.191339 3.901095 31.549148 - znuc, mass 6.000000 12.000000 - - Atom A04S -0.071042 4.637811 31.182267 - znuc, mass 16.000000 31.972070 - - Atom A05C -0.903567 2.286400 28.936532 - znuc, mass 6.000000 12.000000 - - Atom A06C 0.067821 -0.109077 28.878785 - znuc, mass 6.000000 12.000000 - - Atom A07C -0.683843 -1.858266 26.994201 - znuc, mass 6.000000 12.000000 - - Atom A08N -1.301596 -3.343449 25.475349 - znuc, mass 7.000000 14.003070 - - Atom A09C -2.749220 3.043424 27.155068 - znuc, mass 6.000000 12.000000 - - Atom A10N -4.354308 3.653948 25.763629 - znuc, mass 7.000000 14.003070 - - Atom A11N 4.817295 5.747739 31.944902 - znuc, mass 7.000000 14.003070 - - Atom A12S 7.696297 4.554663 32.364716 - znuc, mass 16.000000 31.972070 - - Atom A13C 6.749491 1.431794 31.865841 - znuc, mass 6.000000 12.000000 - - Atom A14C 8.431910 -0.622786 31.852551 - znuc, mass 6.000000 12.000000 - - Atom A15N 9.839505 -2.325484 31.792741 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 2.300299 -1.330125 31.071586 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 4.155636 1.396925 31.477421 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 3.191339 3.901095 31.549148 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -0.071042 4.637811 31.182267 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -0.903567 2.286400 28.936532 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 0.067821 -0.109077 28.878785 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -0.683843 -1.858266 26.994201 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -1.301596 -3.343449 25.475349 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -2.749220 3.043424 27.155068 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -4.354308 3.653948 25.763629 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 4.817295 5.747739 31.944902 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 7.696297 4.554663 32.364716 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 6.749491 1.431794 31.865841 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 8.431910 -0.622786 31.852551 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 9.839505 -2.325484 31.792741 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 3.227968 0.033400 31.274503 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 3.673488 2.649010 31.513284 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 1.560148 4.269453 31.365707 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -0.487304 3.462105 30.059399 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 1.184060 -0.719601 29.975185 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -0.417873 1.088662 28.907658 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -0.308011 -0.983671 27.936493 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -0.992719 -2.600857 26.234775 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -1.826394 2.664912 28.045800 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -3.551764 3.348686 26.459348 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 4.004317 4.824417 31.747025 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 6.256796 5.151201 32.154809 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 5.452564 1.414360 31.671631 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 7.222894 2.993229 32.115278 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 7.590701 0.404504 31.859196 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 9.135708 -1.474135 31.822646 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 3.583608 2.599261 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -3.921042 2.944467 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.854169 -1.764403 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -1.553040 -2.579263 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.886518 0.880237 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.241850 4.885969 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.084803 4.722878 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.274223 0.145353 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.645781 4.209593 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.839103 2.687667 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.622894 0.386808 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.315564 -1.009688 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.316963 1.392603 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.258936 2.827740 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.486822 3.349220 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.519711 1.508206 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.118609 -0.637174 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.011484 1.263009 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.271724 -2.848026 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.844038 3.842599 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.489644 -3.797662 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.992699 5.183033 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.751320 6.396648 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.450311 4.288729 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.016264 -1.596696 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.217610 3.218967 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.807794 -1.357463 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.587727 3.897331 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.647714 -3.027089 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.599988 -1.150117 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.827314 -1.946686 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.124425 5.450007 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.736629 4.529718 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.056377 4.784860 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.818249 -2.255167 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 11.519895 -7.716360 26.217588 - znuc, mass 16.000000 31.972070 - - Atom A02C 9.664558 -4.989310 25.811752 - znuc, mass 6.000000 12.000000 - - Atom A03C 10.628855 -2.485140 25.740026 - znuc, mass 6.000000 12.000000 - - Atom A04S 13.891237 -1.748424 26.106907 - znuc, mass 16.000000 31.972070 - - Atom A05C 14.723761 -4.099835 28.352642 - znuc, mass 6.000000 12.000000 - - Atom A06C 13.752374 -6.495312 28.410388 - znuc, mass 6.000000 12.000000 - - Atom A07C 14.504037 -8.244501 30.294972 - znuc, mass 6.000000 12.000000 - - Atom A08N 15.121790 -9.729684 31.813824 - znuc, mass 7.000000 14.003070 - - Atom A09C 16.569415 -3.342811 30.134105 - znuc, mass 6.000000 12.000000 - - Atom A10N 18.174503 -2.732287 31.525545 - znuc, mass 7.000000 14.003070 - - Atom A11N 9.002899 -0.638496 25.344272 - znuc, mass 7.000000 14.003070 - - Atom A12S 6.123898 -1.831572 24.924458 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.070704 -4.954441 25.423332 - znuc, mass 6.000000 12.000000 - - Atom A14C 5.388284 -7.009021 25.436623 - znuc, mass 6.000000 12.000000 - - Atom A15N 3.980690 -8.711719 25.496432 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 11.519895 -7.716360 26.217588 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 9.664558 -4.989310 25.811752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 10.628855 -2.485140 25.740026 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 13.891237 -1.748424 26.106907 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 14.723761 -4.099835 28.352642 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 13.752374 -6.495312 28.410388 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 14.504037 -8.244501 30.294972 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 15.121790 -9.729684 31.813824 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 16.569415 -3.342811 30.134105 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 18.174503 -2.732287 31.525545 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 9.002899 -0.638496 25.344272 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 6.123898 -1.831572 24.924458 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.070704 -4.954441 25.423332 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 5.388284 -7.009021 25.436623 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 3.980690 -8.711719 25.496432 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 10.592227 -6.352835 26.014670 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 10.146707 -3.737225 25.775889 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 12.260046 -2.116782 25.923466 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 14.307499 -2.924129 27.229774 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 12.636135 -7.105836 27.313988 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 14.238068 -5.297573 28.381515 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 14.128206 -7.369906 29.352680 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 14.812914 -8.987092 31.054398 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 15.646588 -3.721323 29.243374 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 17.371959 -3.037549 30.829825 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 9.815877 -1.561818 25.542149 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 7.563399 -1.235034 25.134365 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 8.367631 -4.971875 25.617542 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 6.597301 -3.393006 25.173895 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 6.229494 -5.981731 25.429977 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 4.684487 -7.860370 25.466528 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 10.236586 -3.786974 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 17.741236 -3.441768 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.966026 -8.150638 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 15.373234 -8.965498 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.706712 -5.505998 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.578345 -1.500266 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.735392 -1.663357 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.545971 -6.240882 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.174413 -2.176641 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.659298 -3.698568 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.197300 -5.999427 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.135758 -7.395923 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.503232 -4.993632 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.561259 -3.558495 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.307017 -3.037015 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.300483 -4.878029 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.701586 -7.023409 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.808710 -5.123226 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.548470 -9.234261 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.664233 -2.543636 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.309838 -10.183897 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.827495 -1.203202 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.068875 0.010413 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.270505 -2.097506 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.803931 -7.982931 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.037804 -3.167268 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.012401 -7.743698 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.407921 -2.488904 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.467909 -9.413324 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.220207 -7.536352 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.992881 -8.332921 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.944620 -0.936228 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.083565 -1.856517 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.763817 -1.601375 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.638444 -8.641402 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 26.900854 1.330125 14.759753 - znuc, mass 16.000000 31.972070 - - Atom A02C 25.045519 -1.396926 14.353917 - znuc, mass 6.000000 12.000000 - - Atom A03C 26.009817 -3.901096 14.282191 - znuc, mass 6.000000 12.000000 - - Atom A04S 29.272198 -4.637810 14.649073 - znuc, mass 16.000000 31.972070 - - Atom A05C 30.104721 -2.286399 16.894808 - znuc, mass 6.000000 12.000000 - - Atom A06C 29.133333 0.109078 16.952554 - znuc, mass 6.000000 12.000000 - - Atom A07C 29.884995 1.858268 18.837138 - znuc, mass 6.000000 12.000000 - - Atom A08N 30.502747 3.343451 20.355990 - znuc, mass 7.000000 14.003070 - - Atom A09C 31.950375 -3.043422 18.676272 - znuc, mass 6.000000 12.000000 - - Atom A10N 33.555463 -3.653944 20.067712 - znuc, mass 7.000000 14.003070 - - Atom A11N 24.383862 -5.747741 13.886437 - znuc, mass 7.000000 14.003070 - - Atom A12S 21.504860 -4.554665 13.466623 - znuc, mass 16.000000 31.972070 - - Atom A13C 22.451664 -1.431796 13.965497 - znuc, mass 6.000000 12.000000 - - Atom A14C 20.769244 0.622783 13.978787 - znuc, mass 6.000000 12.000000 - - Atom A15N 19.361648 2.325480 14.038596 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 26.900854 1.330125 14.759753 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200252 0.667129 -0.867381 0.820424 2.014536 -0.644901 - octupole -0.081100 -0.120945 0.015291 0.151350 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 25.045519 -1.396926 14.353917 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026088 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081134 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 26.009817 -3.901096 14.282191 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 29.272198 -4.637810 14.649073 - znuc, monopole 16.000000 -15.424149 - dipole -0.645105 0.702589 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883321 - octupole 0.376726 0.162146 0.007751 -0.064504 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 30.104721 -2.286399 16.894808 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172782 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 29.133333 0.109078 16.952554 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160109 -0.001747 -0.175100 0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 29.884995 1.858268 18.837138 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 30.502747 3.343451 20.355990 - znuc, monopole 7.000000 -6.844356 - dipole -0.128196 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 31.950375 -3.043422 18.676272 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065351 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049998 0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 33.555463 -3.653944 20.067712 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 24.383862 -5.747741 13.886437 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109388 -0.037751 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 21.504860 -4.554665 13.466623 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657691 1.380421 -2.038112 -0.516799 0.477705 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079016 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 22.451664 -1.431796 13.965497 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102512 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033078 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 20.769244 0.622783 13.978787 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447125 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 19.361648 2.325480 14.038596 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013044 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 25.973186 -0.033400 14.556835 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127967 0.303138 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064490 -0.081833 0.097857 0.020810 0.250721 0.061023 -0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 25.527668 -2.649011 14.318054 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099040 0.017364 - octupole -0.006938 -0.415001 -0.020563 0.384074 0.195901 -0.173546 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 27.641008 -4.269453 14.465632 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032097 0.067519 -0.068455 0.111862 -0.234600 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 29.688460 -3.462104 15.771940 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121103 0.078949 0.001930 0.434804 - octupole 0.128235 0.066191 0.098878 0.110012 0.100436 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 28.017094 0.719602 15.856154 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231615 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150223 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 29.619027 -1.088660 16.923681 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301576 0.166371 0.195835 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 29.509164 0.983673 17.894846 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006089 -0.183194 -0.206575 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227648 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 30.193871 2.600859 19.596564 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226596 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 31.027548 -2.664910 17.785540 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142766 -0.071307 0.108121 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 32.752919 -3.348683 19.371992 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 25.196839 -4.824418 14.084314 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270648 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 22.944361 -5.151203 13.676530 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026718 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017862 0.101437 -0.090246 -0.034757 -0.166575 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 23.748591 -1.414361 14.159707 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254354 -0.246051 0.014825 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 21.978262 -2.993231 13.716060 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 21.610454 -0.404507 13.972142 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027863 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 20.065446 1.474132 14.008692 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053653 0.238490 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084792 -0.000751 0.009942 -0.105320 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 25.144779 -4.784861 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 32.788882 -3.897328 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.346903 1.764332 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 29.848865 3.027091 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.040258 -2.687665 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.578260 -0.386810 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.208458 -5.183035 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.926931 -0.145353 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.555375 -4.209593 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.516717 1.009690 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.617547 -2.599261 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.189670 -1.263007 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.681444 -1.508207 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.942220 -2.827742 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.082545 0.637175 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.884192 -1.392605 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.687978 -3.349219 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.087672 -0.880236 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.929429 2.848022 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.045193 -3.842595 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.690795 3.797665 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.464528 -4.529720 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.325582 -5.450006 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.449837 -6.396649 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.601142 1.150091 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.122196 -2.944464 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.373840 1.946686 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.418764 -3.218964 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.019403 2.255168 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.184995 1.596783 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.393360 1.357463 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.651467 -4.288727 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.116353 -4.722881 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.959306 -4.885970 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.754192 2.579266 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 17.681260 7.716360 19.613751 - znuc, mass 16.000000 31.972070 - - Atom A02C 19.536596 4.989309 20.019587 - znuc, mass 6.000000 12.000000 - - Atom A03C 18.572298 2.485139 20.091313 - znuc, mass 6.000000 12.000000 - - Atom A04S 15.309916 1.748425 19.724431 - znuc, mass 16.000000 31.972070 - - Atom A05C 14.477393 4.099836 17.478696 - znuc, mass 6.000000 12.000000 - - Atom A06C 15.448781 6.495313 17.420950 - znuc, mass 6.000000 12.000000 - - Atom A07C 14.697119 8.244503 15.536366 - znuc, mass 6.000000 12.000000 - - Atom A08N 14.079367 9.729686 14.017514 - znuc, mass 7.000000 14.003070 - - Atom A09C 12.631739 3.342813 15.697232 - znuc, mass 6.000000 12.000000 - - Atom A10N 11.026651 2.732291 14.305792 - znuc, mass 7.000000 14.003070 - - Atom A11N 20.198253 0.638494 20.487067 - znuc, mass 7.000000 14.003070 - - Atom A12S 23.077255 1.831570 20.906881 - znuc, mass 16.000000 31.972070 - - Atom A13C 22.130451 4.954439 20.408007 - znuc, mass 6.000000 12.000000 - - Atom A14C 23.812871 7.009018 20.394717 - znuc, mass 6.000000 12.000000 - - Atom A15N 25.220466 8.711715 20.334908 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 17.681260 7.716360 19.613751 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200252 0.667129 -0.867381 -0.820424 2.014536 0.644901 - octupole 0.081100 -0.120945 -0.015291 0.151350 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 19.536596 4.989309 20.019587 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026088 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081134 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 18.572298 2.485139 20.091313 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 15.309916 1.748425 19.724431 - znuc, monopole 16.000000 -15.424149 - dipole 0.645105 0.702589 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883321 - octupole -0.376726 0.162146 -0.007751 -0.064504 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 14.477393 4.099836 17.478696 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172782 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 15.448781 6.495313 17.420950 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160109 0.001747 0.175100 -0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 14.697119 8.244503 15.536366 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 14.079367 9.729686 14.017514 - znuc, monopole 7.000000 -6.844356 - dipole 0.128196 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 12.631739 3.342813 15.697232 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065351 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049998 -0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 11.026651 2.732291 14.305792 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 20.198253 0.638494 20.487067 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109388 0.037751 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 23.077255 1.831570 20.906881 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657691 1.380421 -2.038112 0.516799 0.477705 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079016 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 22.130451 4.954439 20.408007 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102512 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033078 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 23.812871 7.009018 20.394717 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447125 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 25.220466 8.711715 20.334908 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013044 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 18.608928 6.352835 19.816669 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127967 0.303138 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064490 0.081833 0.097857 -0.020810 -0.250721 -0.061023 0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 19.054447 3.737224 20.055450 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099040 -0.017364 - octupole 0.006938 -0.415001 0.020563 0.384074 -0.195901 0.173546 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 16.941107 2.116782 19.907872 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032097 -0.067519 -0.068455 -0.111862 0.234600 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 14.893655 2.924131 18.601564 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121103 -0.078949 0.001930 -0.434804 - octupole -0.128235 0.066191 -0.098878 0.110012 -0.100436 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 16.565021 7.105837 18.517351 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231615 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150223 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 14.963087 5.297575 17.449823 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301576 -0.166371 -0.195835 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 15.072950 7.369908 16.478658 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006089 -0.183194 0.206575 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227648 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 14.388243 8.987094 14.776940 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226596 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 13.554566 3.721325 16.587964 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142766 -0.071307 -0.108121 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 11.829195 3.037552 15.001512 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 19.385275 1.561817 20.289190 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270648 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 21.637754 1.235032 20.696974 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026718 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017862 -0.101437 -0.090246 0.034757 0.166575 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 20.833523 4.971874 20.213797 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254354 0.246051 0.014825 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 22.603853 3.393004 20.657444 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 22.971661 5.981728 20.401362 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027863 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 24.516668 7.860367 20.364812 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053653 0.238490 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084792 -0.000751 -0.009942 -0.105320 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 19.437335 1.601374 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 11.793233 2.488907 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.235211 8.150567 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 14.733249 9.413326 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.541856 3.698570 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.003855 5.999425 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.373657 1.203200 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.655183 6.240882 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.026740 2.176642 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.065398 7.395925 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.964567 3.786974 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.392445 5.123228 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.900671 4.878028 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.639895 3.558492 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.499570 7.023410 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.697922 4.993630 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.894137 3.037016 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.494442 5.505999 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.652686 9.234257 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.536921 2.543640 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.891319 10.183899 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.117587 1.856515 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.256533 0.936229 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.132277 -0.010414 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.980972 7.536326 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.459918 3.441771 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.208275 8.332921 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.163350 3.167271 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.562712 8.641403 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.397119 7.983018 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.188755 7.743698 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.930648 2.097508 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.465761 1.663354 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.622808 1.500265 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.827923 8.965501 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 10.380970 11.442345 8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 12.236307 14.169395 8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 11.272010 16.673565 8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 8.009629 17.410281 8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 7.177104 15.058870 6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 8.148492 12.663393 5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 7.396829 10.914204 4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 6.779075 9.429021 2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 5.331451 15.815894 4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 3.726363 16.426418 2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 12.897966 18.520209 9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 15.776968 17.327133 9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 14.830162 14.204264 8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 16.512581 12.149684 8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 17.920176 10.446986 8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 10.380970 11.442345 8.155916 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 12.236307 14.169395 8.561752 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 11.272010 16.673565 8.633478 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 8.009629 17.410281 8.266597 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 7.177104 15.058870 6.020862 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 8.148492 12.663393 5.963116 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 7.396829 10.914204 4.078532 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 6.779075 9.429021 2.559680 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 5.331451 15.815894 4.239399 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 3.726363 16.426418 2.847959 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 12.897966 18.520209 9.029232 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 15.776968 17.327133 9.449046 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 14.830162 14.204264 8.950172 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 16.512581 12.149684 8.936881 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 17.920176 10.446986 8.877072 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 11.308639 12.805870 8.358834 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 11.754159 15.421480 8.597615 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 9.640820 17.041923 8.450038 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 7.593367 16.234575 7.143730 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 9.264731 12.052869 7.059516 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 7.662798 13.861131 5.991989 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 7.772660 11.788798 5.020824 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 7.087952 10.171613 3.319106 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 6.254278 15.437382 5.130130 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 4.528907 16.121156 3.543679 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 12.084988 17.596887 8.831355 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 14.337467 17.923671 9.239139 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 13.533235 14.186830 8.755962 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 15.303565 15.765698 9.199609 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 15.671372 13.176974 8.943527 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 17.216379 11.298335 8.906976 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 11.664279 15.371730 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 4.159630 15.716937 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.934840 11.008067 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 6.527631 10.193207 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.194153 13.652707 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.322521 17.658439 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.165474 17.495348 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.354894 12.917822 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.726452 16.982063 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.241568 15.460137 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.703566 13.159277 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.765107 11.762781 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.397634 14.165073 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.339607 15.600210 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.593849 16.121690 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.600382 14.280676 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.199280 12.135296 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.092155 14.035478 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.352395 9.924444 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.236633 16.615069 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.591027 8.974808 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.073370 17.955503 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.831991 19.169118 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.630360 17.061198 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.096935 11.175774 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.863062 15.991437 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.888465 11.415007 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.492944 16.669800 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.432957 9.745380 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.680659 11.622353 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.907985 10.825784 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.956246 18.222477 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.817300 17.302188 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.137048 17.557330 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.262422 10.517303 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 19.600566 5.056110 3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 17.745230 7.783160 2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 18.709526 10.287330 2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 21.971908 11.024046 3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 22.804432 8.672635 5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 21.833045 6.277158 5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 22.584708 4.527969 7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 23.202461 3.042786 8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 24.650086 9.429659 7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 26.255174 10.040183 8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 17.083570 12.133974 2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 14.204569 10.940898 2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 15.151375 7.818029 2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 13.468955 5.763449 2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 12.061361 4.060751 2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 19.600566 5.056110 3.301918 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 17.745230 7.783160 2.896083 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 18.709526 10.287330 2.824356 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 21.971908 11.024046 3.191237 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 22.804432 8.672635 5.436972 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 21.833045 6.277158 5.494719 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 22.584708 4.527969 7.379303 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 23.202461 3.042786 8.898155 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 24.650086 9.429659 7.218436 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 26.255174 10.040183 8.609875 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 17.083570 12.133974 2.428602 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 14.204569 10.940898 2.008788 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 15.151375 7.818029 2.507663 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 13.468955 5.763449 2.520953 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 12.061361 4.060751 2.580763 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 18.672898 6.419635 3.099001 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 18.227378 9.035245 2.860220 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 20.340717 10.655688 3.007797 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 22.388170 9.848340 4.314105 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 20.716806 5.666634 4.398319 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 22.318739 7.474897 5.465846 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 22.208877 5.402564 6.437011 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 22.893585 3.785378 8.138729 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 23.727259 9.051147 6.327704 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 25.452630 9.734921 7.914156 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 17.896548 11.210652 2.626479 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 15.644070 11.537436 2.218695 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 16.448302 7.800595 2.701873 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 14.677972 9.379463 2.258226 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 14.310165 6.790739 2.514308 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 12.765158 4.912100 2.550858 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 18.317257 8.985495 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 25.821907 9.330702 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.046697 4.621832 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 23.453906 3.806972 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.787384 7.266472 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.659016 11.272204 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.816063 11.109113 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.626643 6.531587 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.255084 10.595828 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.739969 9.073902 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.277971 6.773043 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.216429 5.376546 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.583903 7.778838 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.641930 9.213975 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.387688 9.735455 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.381154 7.894441 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.782257 5.749061 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.889381 7.649243 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.629141 3.538209 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.744904 10.228834 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.390509 2.588573 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.908167 11.569268 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.149546 12.782883 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.351176 10.674963 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.884602 4.789539 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.118475 9.605202 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.093072 5.028772 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.488592 10.283566 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.548580 3.359146 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.300878 5.236118 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.073552 4.439549 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.025291 11.836242 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.164236 10.915953 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.844488 11.171095 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.719115 4.131068 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 34.981527 14.102595 -8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 33.126190 11.375545 -8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 34.090487 8.871374 -8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 37.352869 8.134659 -8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 38.185393 10.486070 -6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 37.214006 12.881547 -5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 37.965669 14.630736 -4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 38.583422 16.115919 -2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 40.031047 9.729046 -4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 41.636135 9.118522 -2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 32.464531 7.024730 -9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 29.585530 8.217807 -9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 30.532336 11.340676 -8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 28.849916 13.395256 -8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 27.442322 15.097954 -8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 34.981527 14.102595 -8.155916 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole -0.081100 -0.120946 0.015291 0.151351 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 33.126190 11.375545 -8.561752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081135 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 34.090487 8.871374 -8.633478 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 37.352869 8.134659 -8.266597 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole 0.376726 0.162146 0.007751 -0.064505 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 38.185393 10.486070 -6.020862 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 37.214006 12.881547 -5.963116 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160108 -0.001747 -0.175099 0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 37.965669 14.630736 -4.078532 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 38.583422 16.115919 -2.559680 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 40.031047 9.729046 -4.239399 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049997 0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 41.636135 9.118522 -2.847959 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 32.464531 7.024730 -9.029232 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 29.585530 8.217807 -9.449046 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079017 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 30.532336 11.340676 -8.950172 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033077 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 28.849916 13.395256 -8.936881 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 27.442322 15.097954 -8.877072 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 34.053859 12.739070 -8.358834 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064489 -0.081833 0.097858 0.020810 0.250721 0.061022 -0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 33.608339 10.123460 -8.597615 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole -0.006937 -0.415001 -0.020564 0.384074 0.195901 -0.173547 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 35.721678 8.503017 -8.450038 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032096 0.067519 -0.068455 0.111862 -0.234599 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 37.769131 9.310364 -7.143730 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole 0.128236 0.066192 0.098878 0.110011 0.100435 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 36.097767 13.492071 -7.059516 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150222 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 37.699700 11.683808 -5.991989 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301575 0.166371 0.195836 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 37.589838 13.756141 -5.020824 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227647 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 38.274546 15.373327 -3.319106 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 39.108220 10.107558 -5.130130 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 40.833591 9.423784 -3.543679 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 33.277509 7.948052 -8.831355 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 31.025031 7.621269 -9.239139 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017861 0.101437 -0.090246 -0.034757 -0.166574 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 31.829263 11.358110 -8.755962 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254353 -0.246051 0.014826 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 30.058933 9.779241 -9.199609 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 29.691126 12.367966 -8.943527 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027862 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 28.146119 14.246605 -8.906976 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084793 -0.000751 0.009942 -0.105319 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 33.225449 7.987610 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 40.869553 8.875139 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.427576 14.536805 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 37.929540 15.799559 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 39.120930 10.084803 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.658932 12.385662 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.289127 7.589437 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.007603 12.627117 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.636045 8.562876 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.597390 13.782158 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.698218 10.173209 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.270342 11.509461 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.762115 11.264264 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.022891 9.944730 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 36.163218 13.409644 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.964864 11.379867 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.768649 9.423250 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.168344 11.892233 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.010102 15.620496 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 42.125865 8.929871 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.771470 16.570132 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.545198 8.242753 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.406252 7.322463 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.530507 6.375822 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.681815 13.922565 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 41.202868 9.828003 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.454513 14.719156 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.499436 9.553503 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.100077 15.027636 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.265668 14.369256 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.474033 14.129933 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.732137 8.483741 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.197023 8.049592 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.039977 7.886501 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.834866 15.351734 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 25.761931 20.488830 -3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 27.617268 17.761780 -2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 26.652971 15.257609 -2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 23.390590 14.520894 -3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 22.558065 16.872305 -5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 23.529453 19.267782 -5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 22.777789 21.016971 -7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 22.160036 22.502154 -8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 20.712412 16.115280 -7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 19.107324 15.504757 -8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 28.278927 13.410965 -2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 31.157929 14.604042 -2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 30.211123 17.726911 -2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 31.893542 19.781491 -2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 33.301137 21.484189 -2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 25.761931 20.488830 -3.301918 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole 0.081100 -0.120946 -0.015291 0.151351 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 27.617268 17.761780 -2.896083 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081135 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 26.652971 15.257609 -2.824356 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 23.390590 14.520894 -3.191237 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole -0.376726 0.162146 -0.007751 -0.064505 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 22.558065 16.872305 -5.436972 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 23.529453 19.267782 -5.494719 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160108 0.001747 0.175099 -0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 22.777789 21.016971 -7.379303 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 22.160036 22.502154 -8.898155 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 20.712412 16.115280 -7.218436 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049997 -0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 19.107324 15.504757 -8.609875 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 28.278927 13.410965 -2.428602 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 31.157929 14.604042 -2.008788 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079017 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 30.211123 17.726911 -2.507663 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033077 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 31.893542 19.781491 -2.520953 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 33.301137 21.484189 -2.580763 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 26.689600 19.125305 -3.099001 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064489 0.081833 0.097858 -0.020810 -0.250721 -0.061022 0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 27.135120 16.509695 -2.860220 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole 0.006937 -0.415001 0.020564 0.384074 -0.195901 0.173547 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 25.021781 14.889252 -3.007797 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032096 -0.067519 -0.068455 -0.111862 0.234599 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 22.974328 15.696599 -4.314105 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole -0.128236 0.066192 -0.098878 0.110011 -0.100435 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 24.645692 19.878306 -4.398319 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150222 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 23.043759 18.070043 -5.465846 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301575 -0.166371 -0.195836 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 23.153621 20.142376 -6.437011 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227647 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 22.468913 21.759562 -8.138729 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 21.635238 16.493793 -6.327704 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 19.909868 15.810019 -7.914156 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 27.465949 14.334287 -2.626479 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 29.718428 14.007504 -2.218695 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017861 -0.101437 -0.090246 0.034757 0.166574 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 28.914196 17.744345 -2.701873 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254353 0.246051 0.014826 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 30.684526 16.165476 -2.258226 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 31.052333 18.754201 -2.514308 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027862 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 32.597340 20.632840 -2.550858 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084793 -0.000751 -0.009942 -0.105319 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 27.518009 14.373845 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 19.873905 15.261374 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.315882 20.923040 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 22.813919 22.185794 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.622529 16.471038 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.084527 18.771897 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.454331 13.975671 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.735855 19.013352 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.107413 14.949111 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.146068 20.168393 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.045240 16.559444 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.473116 17.895696 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.981343 17.650499 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.720568 16.330965 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.580241 19.795879 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.778595 17.766102 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.974810 15.809485 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.575114 18.278468 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.733356 22.006731 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.617594 15.316106 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.971988 22.956367 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.198261 14.628988 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.337207 13.708698 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.212952 12.762057 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.061644 20.308800 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.540590 16.214238 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.288946 21.105391 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.244023 15.939738 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.643382 21.413871 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.477790 20.755491 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.269426 20.516167 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.011321 14.869976 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.546435 14.435827 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.703482 14.272736 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.908592 21.737969 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 2.300299 11.442345 31.071586 - znuc, mass 16.000000 31.972070 - - Atom A02C 4.155636 14.169395 31.477421 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.191339 16.673565 31.549148 - znuc, mass 6.000000 12.000000 - - Atom A04S -0.071042 17.410281 31.182267 - znuc, mass 16.000000 31.972070 - - Atom A05C -0.903567 15.058870 28.936532 - znuc, mass 6.000000 12.000000 - - Atom A06C 0.067821 12.663393 28.878785 - znuc, mass 6.000000 12.000000 - - Atom A07C -0.683843 10.914204 26.994201 - znuc, mass 6.000000 12.000000 - - Atom A08N -1.301596 9.429021 25.475349 - znuc, mass 7.000000 14.003070 - - Atom A09C -2.749220 15.815894 27.155068 - znuc, mass 6.000000 12.000000 - - Atom A10N -4.354308 16.426418 25.763629 - znuc, mass 7.000000 14.003070 - - Atom A11N 4.817295 18.520209 31.944902 - znuc, mass 7.000000 14.003070 - - Atom A12S 7.696297 17.327133 32.364716 - znuc, mass 16.000000 31.972070 - - Atom A13C 6.749491 14.204264 31.865841 - znuc, mass 6.000000 12.000000 - - Atom A14C 8.431910 12.149684 31.852551 - znuc, mass 6.000000 12.000000 - - Atom A15N 9.839505 10.446986 31.792741 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 2.300299 11.442345 31.071586 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 4.155636 14.169395 31.477421 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 3.191339 16.673565 31.549148 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -0.071042 17.410281 31.182267 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -0.903567 15.058870 28.936532 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 0.067821 12.663393 28.878785 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -0.683843 10.914204 26.994201 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -1.301596 9.429021 25.475349 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -2.749220 15.815894 27.155068 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -4.354308 16.426418 25.763629 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 4.817295 18.520209 31.944902 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 7.696297 17.327133 32.364716 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 6.749491 14.204264 31.865841 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 8.431910 12.149684 31.852551 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 9.839505 10.446986 31.792741 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 3.227968 12.805870 31.274503 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 3.673488 15.421480 31.513284 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 1.560148 17.041923 31.365707 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -0.487304 16.234575 30.059399 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 1.184060 12.052869 29.975185 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -0.417873 13.861131 28.907658 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -0.308011 11.788798 27.936493 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -0.992719 10.171613 26.234775 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -1.826394 15.437382 28.045800 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -3.551764 16.121156 26.459348 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 4.004317 17.596887 31.747025 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 6.256796 17.923671 32.154809 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 5.452564 14.186830 31.671631 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 7.222894 15.765698 32.115278 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 7.590701 13.176974 31.859196 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 9.135708 11.298335 31.822646 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 3.583608 15.371730 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -3.921042 15.716937 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.854169 11.008067 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -1.553040 10.193207 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.886518 13.652707 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.241850 17.658439 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.084803 17.495348 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.274223 12.917822 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.645781 16.982063 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.839103 15.460137 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.622894 13.159277 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.315564 11.762781 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.316963 14.165073 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.258936 15.600210 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.486822 16.121690 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.519711 14.280676 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.118609 12.135296 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.011484 14.035478 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.271724 9.924444 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.844038 16.615069 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.489644 8.974808 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.992699 17.955503 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.751320 19.169118 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.450311 17.061198 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.016264 11.175774 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.217610 15.991437 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.807794 11.415007 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.587727 16.669800 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.647714 9.745380 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.599988 11.622353 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.827314 10.825784 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.124425 18.222477 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.736629 17.302188 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.056377 17.557330 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.818249 10.517303 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 11.519895 5.056110 26.217588 - znuc, mass 16.000000 31.972070 - - Atom A02C 9.664558 7.783160 25.811752 - znuc, mass 6.000000 12.000000 - - Atom A03C 10.628855 10.287330 25.740026 - znuc, mass 6.000000 12.000000 - - Atom A04S 13.891237 11.024046 26.106907 - znuc, mass 16.000000 31.972070 - - Atom A05C 14.723761 8.672635 28.352642 - znuc, mass 6.000000 12.000000 - - Atom A06C 13.752374 6.277158 28.410388 - znuc, mass 6.000000 12.000000 - - Atom A07C 14.504037 4.527969 30.294972 - znuc, mass 6.000000 12.000000 - - Atom A08N 15.121790 3.042786 31.813824 - znuc, mass 7.000000 14.003070 - - Atom A09C 16.569415 9.429659 30.134105 - znuc, mass 6.000000 12.000000 - - Atom A10N 18.174503 10.040183 31.525545 - znuc, mass 7.000000 14.003070 - - Atom A11N 9.002899 12.133974 25.344272 - znuc, mass 7.000000 14.003070 - - Atom A12S 6.123898 10.940898 24.924458 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.070704 7.818029 25.423332 - znuc, mass 6.000000 12.000000 - - Atom A14C 5.388284 5.763449 25.436623 - znuc, mass 6.000000 12.000000 - - Atom A15N 3.980690 4.060751 25.496432 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 11.519895 5.056110 26.217588 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 9.664558 7.783160 25.811752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 10.628855 10.287330 25.740026 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 13.891237 11.024046 26.106907 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 14.723761 8.672635 28.352642 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 13.752374 6.277158 28.410388 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 14.504037 4.527969 30.294972 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 15.121790 3.042786 31.813824 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 16.569415 9.429659 30.134105 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 18.174503 10.040183 31.525545 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 9.002899 12.133974 25.344272 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 6.123898 10.940898 24.924458 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.070704 7.818029 25.423332 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 5.388284 5.763449 25.436623 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 3.980690 4.060751 25.496432 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 10.592227 6.419635 26.014670 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 10.146707 9.035245 25.775889 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 12.260046 10.655688 25.923466 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 14.307499 9.848340 27.229774 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 12.636135 5.666634 27.313988 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 14.238068 7.474897 28.381515 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 14.128206 5.402564 29.352680 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 14.812914 3.785378 31.054398 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 15.646588 9.051147 29.243374 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 17.371959 9.734921 30.829825 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 9.815877 11.210652 25.542149 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 7.563399 11.537436 25.134365 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 8.367631 7.800595 25.617542 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 6.597301 9.379463 25.173895 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 6.229494 6.790739 25.429977 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 4.684487 4.912100 25.466528 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 10.236586 8.985495 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 17.741236 9.330702 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.966026 4.621832 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 15.373234 3.806972 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.706712 7.266472 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.578345 11.272204 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.735392 11.109113 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.545971 6.531587 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.174413 10.595828 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.659298 9.073902 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.197300 6.773043 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.135758 5.376546 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.503232 7.778838 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.561259 9.213975 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.307017 9.735455 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.300483 7.894441 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.701586 5.749061 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.808710 7.649243 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.548470 3.538209 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.664233 10.228834 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.309838 2.588573 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.827495 11.569268 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.068875 12.782883 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.270505 10.674963 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.803931 4.789539 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.037804 9.605202 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.012401 5.028772 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.407921 10.283566 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.467909 3.359146 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.220207 5.236118 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.992881 4.439549 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.944620 11.836242 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.083565 10.915953 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.763817 11.171095 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.638444 4.131068 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 26.900854 14.102595 14.759753 - znuc, mass 16.000000 31.972070 - - Atom A02C 25.045519 11.375544 14.353917 - znuc, mass 6.000000 12.000000 - - Atom A03C 26.009817 8.871374 14.282191 - znuc, mass 6.000000 12.000000 - - Atom A04S 29.272198 8.134660 14.649073 - znuc, mass 16.000000 31.972070 - - Atom A05C 30.104721 10.486071 16.894808 - znuc, mass 6.000000 12.000000 - - Atom A06C 29.133333 12.881548 16.952554 - znuc, mass 6.000000 12.000000 - - Atom A07C 29.884995 14.630737 18.837138 - znuc, mass 6.000000 12.000000 - - Atom A08N 30.502747 16.115921 20.355990 - znuc, mass 7.000000 14.003070 - - Atom A09C 31.950375 9.729048 18.676272 - znuc, mass 6.000000 12.000000 - - Atom A10N 33.555463 9.118526 20.067712 - znuc, mass 7.000000 14.003070 - - Atom A11N 24.383862 7.024729 13.886437 - znuc, mass 7.000000 14.003070 - - Atom A12S 21.504860 8.217805 13.466623 - znuc, mass 16.000000 31.972070 - - Atom A13C 22.451664 11.340674 13.965497 - znuc, mass 6.000000 12.000000 - - Atom A14C 20.769244 13.395253 13.978787 - znuc, mass 6.000000 12.000000 - - Atom A15N 19.361648 15.097950 14.038596 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 26.900854 14.102595 14.759753 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200252 0.667129 -0.867381 0.820424 2.014536 -0.644901 - octupole -0.081100 -0.120945 0.015291 0.151350 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 25.045519 11.375544 14.353917 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026088 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081134 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 26.009817 8.871374 14.282191 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 29.272198 8.134660 14.649073 - znuc, monopole 16.000000 -15.424149 - dipole -0.645105 0.702589 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883321 - octupole 0.376726 0.162146 0.007751 -0.064504 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 30.104721 10.486071 16.894808 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172782 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 29.133333 12.881548 16.952554 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160109 -0.001747 -0.175100 0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 29.884995 14.630737 18.837138 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 30.502747 16.115921 20.355990 - znuc, monopole 7.000000 -6.844356 - dipole -0.128196 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 31.950375 9.729048 18.676272 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065351 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049998 0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 33.555463 9.118526 20.067712 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 24.383862 7.024729 13.886437 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109388 -0.037751 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 21.504860 8.217805 13.466623 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657691 1.380421 -2.038112 -0.516799 0.477705 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079016 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 22.451664 11.340674 13.965497 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102512 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033078 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 20.769244 13.395253 13.978787 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447125 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 19.361648 15.097950 14.038596 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013044 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 25.973186 12.739070 14.556835 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127967 0.303138 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064490 -0.081833 0.097857 0.020810 0.250721 0.061023 -0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 25.527668 10.123459 14.318054 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099040 0.017364 - octupole -0.006938 -0.415001 -0.020563 0.384074 0.195901 -0.173546 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 27.641008 8.503017 14.465632 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032097 0.067519 -0.068455 0.111862 -0.234600 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 29.688460 9.310366 15.771940 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121103 0.078949 0.001930 0.434804 - octupole 0.128235 0.066191 0.098878 0.110012 0.100436 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 28.017094 13.492072 15.856154 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231615 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150223 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 29.619027 11.683810 16.923681 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301576 0.166371 0.195835 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 29.509164 13.756143 17.894846 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006089 -0.183194 -0.206575 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227648 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 30.193871 15.373329 19.596564 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226596 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 31.027548 10.107560 17.785540 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142766 -0.071307 0.108121 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 32.752919 9.423787 19.371992 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 25.196839 7.948052 14.084314 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270648 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 22.944361 7.621267 13.676530 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026718 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017862 0.101437 -0.090246 -0.034757 -0.166575 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 23.748591 11.358109 14.159707 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254354 -0.246051 0.014825 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 21.978262 9.779239 13.716060 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 21.610454 12.367963 13.972142 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027863 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 20.065446 14.246601 14.008692 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053653 0.238490 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084792 -0.000751 0.009942 -0.105320 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 25.144779 7.987609 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 32.788882 8.875142 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.346903 14.536802 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 29.848865 15.799561 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.040258 10.084805 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.578260 12.385660 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.208458 7.589435 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.926931 12.627117 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.555375 8.562877 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.516717 13.782160 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.617547 10.173209 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.189670 11.509463 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.681444 11.264263 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.942220 9.944727 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.082545 13.409645 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.884192 11.379865 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.687978 9.423251 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.087672 11.892234 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.929429 15.620492 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.045193 8.929875 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.690795 16.570134 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.464528 8.242750 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.325582 7.322464 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.449837 6.375821 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.601142 13.922561 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.122196 9.828006 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.373840 14.719156 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.418764 9.553506 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.019403 15.027638 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.184995 14.369253 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.393360 14.129933 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.651467 8.483743 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.116353 8.049589 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.959306 7.886500 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.754192 15.351736 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 17.681260 20.488830 19.613751 - znuc, mass 16.000000 31.972070 - - Atom A02C 19.536596 17.761779 20.019587 - znuc, mass 6.000000 12.000000 - - Atom A03C 18.572298 15.257609 20.091313 - znuc, mass 6.000000 12.000000 - - Atom A04S 15.309916 14.520895 19.724431 - znuc, mass 16.000000 31.972070 - - Atom A05C 14.477393 16.872306 17.478696 - znuc, mass 6.000000 12.000000 - - Atom A06C 15.448781 19.267783 17.420950 - znuc, mass 6.000000 12.000000 - - Atom A07C 14.697119 21.016972 15.536366 - znuc, mass 6.000000 12.000000 - - Atom A08N 14.079367 22.502156 14.017514 - znuc, mass 7.000000 14.003070 - - Atom A09C 12.631739 16.115283 15.697232 - znuc, mass 6.000000 12.000000 - - Atom A10N 11.026651 15.504761 14.305792 - znuc, mass 7.000000 14.003070 - - Atom A11N 20.198253 13.410964 20.487067 - znuc, mass 7.000000 14.003070 - - Atom A12S 23.077255 14.604039 20.906881 - znuc, mass 16.000000 31.972070 - - Atom A13C 22.130451 17.726909 20.408007 - znuc, mass 6.000000 12.000000 - - Atom A14C 23.812871 19.781488 20.394717 - znuc, mass 6.000000 12.000000 - - Atom A15N 25.220466 21.484185 20.334908 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 17.681260 20.488830 19.613751 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200252 0.667129 -0.867381 -0.820424 2.014536 0.644901 - octupole 0.081100 -0.120945 -0.015291 0.151350 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 19.536596 17.761779 20.019587 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026088 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081134 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 18.572298 15.257609 20.091313 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 15.309916 14.520895 19.724431 - znuc, monopole 16.000000 -15.424149 - dipole 0.645105 0.702589 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883321 - octupole -0.376726 0.162146 -0.007751 -0.064504 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 14.477393 16.872306 17.478696 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172782 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 15.448781 19.267783 17.420950 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160109 0.001747 0.175100 -0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 14.697119 21.016972 15.536366 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 14.079367 22.502156 14.017514 - znuc, monopole 7.000000 -6.844356 - dipole 0.128196 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 12.631739 16.115283 15.697232 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065351 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049998 -0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 11.026651 15.504761 14.305792 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 20.198253 13.410964 20.487067 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109388 0.037751 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 23.077255 14.604039 20.906881 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657691 1.380421 -2.038112 0.516799 0.477705 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079016 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 22.130451 17.726909 20.408007 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102512 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033078 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 23.812871 19.781488 20.394717 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447125 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 25.220466 21.484185 20.334908 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013044 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 18.608928 19.125305 19.816669 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127967 0.303138 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064490 0.081833 0.097857 -0.020810 -0.250721 -0.061023 0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 19.054447 16.509694 20.055450 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099040 -0.017364 - octupole 0.006938 -0.415001 0.020563 0.384074 -0.195901 0.173546 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 16.941107 14.889252 19.907872 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032097 -0.067519 -0.068455 -0.111862 0.234600 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 14.893655 15.696601 18.601564 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121103 -0.078949 0.001930 -0.434804 - octupole -0.128235 0.066191 -0.098878 0.110012 -0.100436 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 16.565021 19.878307 18.517351 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231615 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150223 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 14.963087 18.070045 17.449823 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301576 -0.166371 -0.195835 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 15.072950 20.142378 16.478658 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006089 -0.183194 0.206575 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227648 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 14.388243 21.759564 14.776940 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226596 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 13.554566 16.493795 16.587964 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142766 -0.071307 -0.108121 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 11.829195 15.810022 15.001512 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 19.385275 14.334287 20.289190 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270648 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 21.637754 14.007502 20.696974 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026718 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017862 -0.101437 -0.090246 0.034757 0.166575 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 20.833523 17.744344 20.213797 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254354 0.246051 0.014825 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 22.603853 16.165474 20.657444 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 22.971661 18.754198 20.401362 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027863 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 24.516668 20.632836 20.364812 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053653 0.238490 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084792 -0.000751 -0.009942 -0.105320 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 19.437335 14.373844 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 11.793233 15.261377 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.235211 20.923037 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 14.733249 22.185796 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.541856 16.471040 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.003855 18.771895 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.373657 13.975670 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.655183 19.013352 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.026740 14.949112 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.065398 20.168395 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.964567 16.559444 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.392445 17.895698 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.900671 17.650498 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.639895 16.330962 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.499570 19.795880 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.697922 17.766100 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.894137 15.809486 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.494442 18.278469 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.652686 22.006727 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.536921 15.316110 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.891319 22.956369 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.117587 14.628985 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.256533 13.708699 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.132277 12.762056 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.980972 20.308796 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.459918 16.214241 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.208275 21.105391 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.163350 15.939741 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.562712 21.413873 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.397119 20.755488 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.188755 20.516168 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.930648 14.869978 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.465761 14.435824 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.622808 14.272735 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.827923 21.737971 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 10.380970 24.214814 8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 12.236307 26.941865 8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 11.272010 29.446035 8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 8.009629 30.182751 8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 7.177104 27.831340 6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 8.148492 25.435863 5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 7.396829 23.686674 4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 6.779075 22.201491 2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 5.331451 28.588364 4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 3.726363 29.198887 2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 12.897966 31.292679 9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 15.776968 30.099603 9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 14.830162 26.976734 8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 16.512581 24.922154 8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 17.920176 23.219456 8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 10.380970 24.214814 8.155916 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 12.236307 26.941865 8.561752 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 11.272010 29.446035 8.633478 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 8.009629 30.182751 8.266597 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 7.177104 27.831340 6.020862 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 8.148492 25.435863 5.963116 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 7.396829 23.686674 4.078532 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 6.779075 22.201491 2.559680 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 5.331451 28.588364 4.239399 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 3.726363 29.198887 2.847959 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 12.897966 31.292679 9.029232 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 15.776968 30.099603 9.449046 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 14.830162 26.976734 8.950172 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 16.512581 24.922154 8.936881 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 17.920176 23.219456 8.877072 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 11.308639 25.578340 8.358834 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 11.754159 28.193950 8.597615 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 9.640820 29.814393 8.450038 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 7.593367 29.007045 7.143730 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 9.264731 24.825339 7.059516 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 7.662798 26.633601 5.991989 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 7.772660 24.561268 5.020824 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 7.087952 22.944082 3.319106 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 6.254278 28.209852 5.130130 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 4.528907 28.893626 3.543679 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 12.084988 30.369357 8.831355 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 14.337467 30.696141 9.239139 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 13.533235 26.959299 8.755962 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 15.303565 28.538168 9.199609 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 15.671372 25.949444 8.943527 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 17.216379 24.070805 8.906976 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 11.664279 28.144200 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 4.159630 28.489407 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.934840 23.780537 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 6.527631 22.965676 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.194153 26.425177 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.322521 30.430909 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.165474 30.267818 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.354894 25.690292 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.726452 29.754533 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.241568 28.232607 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.703566 25.931747 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.765107 24.535251 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.397634 26.937543 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.339607 28.372680 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.593849 28.894160 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.600382 27.053146 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.199280 24.907766 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.092155 26.807948 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.352395 22.696914 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.236633 29.387539 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.591027 21.747277 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.073370 30.727973 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.831991 31.941587 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.630360 29.833668 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.096935 23.948244 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.863062 28.763906 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.888465 24.187477 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.492944 29.442270 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.432957 22.517850 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.680659 24.394823 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.907985 23.598254 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.956246 30.994947 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.817300 30.074657 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.137048 30.329800 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.262422 23.289773 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 19.600566 17.828580 3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 17.745230 20.555630 2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 18.709526 23.059800 2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 21.971908 23.796516 3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 22.804432 21.445105 5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 21.833045 19.049628 5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 22.584708 17.300439 7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 23.202461 15.815256 8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 24.650086 22.202129 7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 26.255174 22.812652 8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 17.083570 24.906444 2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 14.204569 23.713368 2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 15.151375 20.590499 2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 13.468955 18.535919 2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 12.061361 16.833221 2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 19.600566 17.828580 3.301918 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 17.745230 20.555630 2.896083 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 18.709526 23.059800 2.824356 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 21.971908 23.796516 3.191237 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 22.804432 21.445105 5.436972 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 21.833045 19.049628 5.494719 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 22.584708 17.300439 7.379303 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 23.202461 15.815256 8.898155 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 24.650086 22.202129 7.218436 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 26.255174 22.812652 8.609875 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 17.083570 24.906444 2.428602 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 14.204569 23.713368 2.008788 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 15.151375 20.590499 2.507663 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 13.468955 18.535919 2.520953 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 12.061361 16.833221 2.580763 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 18.672898 19.192105 3.099001 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 18.227378 21.807715 2.860220 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 20.340717 23.428158 3.007797 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 22.388170 22.620810 4.314105 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 20.716806 18.439104 4.398319 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 22.318739 20.247366 5.465846 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 22.208877 18.175033 6.437011 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 22.893585 16.557847 8.138729 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 23.727259 21.823617 6.327704 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 25.452630 22.507391 7.914156 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 17.896548 23.983122 2.626479 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 15.644070 24.309906 2.218695 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 16.448302 20.573065 2.701873 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 14.677972 22.151933 2.258226 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 14.310165 19.563209 2.514308 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 12.765158 17.684570 2.550858 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 18.317257 21.757965 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 25.821907 22.103172 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.046697 17.394302 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 23.453906 16.579441 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.787384 20.038942 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.659016 24.044674 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.816063 23.881583 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.626643 19.304057 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.255084 23.368298 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.739969 21.846372 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.277971 19.545512 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.216429 18.149016 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.583903 20.551308 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.641930 21.986445 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.387688 22.507925 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.381154 20.666911 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.782257 18.521531 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.889381 20.421713 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.629141 16.310679 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.744904 23.001304 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.390509 15.361042 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.908167 24.341738 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.149546 25.555353 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.351176 23.447433 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.884602 17.562009 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.118475 22.377672 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.093072 17.801242 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.488592 23.056035 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.548580 16.131615 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.300878 18.008588 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.073552 17.212019 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.025291 24.608712 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.164236 23.688423 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.844488 23.943565 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.719115 16.903538 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 34.981527 26.875065 -8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 33.126190 24.148015 -8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 34.090487 21.643844 -8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 37.352869 20.907129 -8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 38.185393 23.258540 -6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 37.214006 25.654017 -5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 37.965669 27.403206 -4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 38.583422 28.888389 -2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 40.031047 22.501515 -4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 41.636135 21.890992 -2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 32.464531 19.797200 -9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 29.585530 20.990277 -9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 30.532336 24.113146 -8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 28.849916 26.167726 -8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 27.442322 27.870423 -8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 34.981527 26.875065 -8.155916 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole -0.081100 -0.120946 0.015291 0.151351 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 33.126190 24.148015 -8.561752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081135 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 34.090487 21.643844 -8.633478 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 37.352869 20.907129 -8.266597 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole 0.376726 0.162146 0.007751 -0.064505 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 38.185393 23.258540 -6.020862 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 37.214006 25.654017 -5.963116 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160108 -0.001747 -0.175099 0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 37.965669 27.403206 -4.078532 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 38.583422 28.888389 -2.559680 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 40.031047 22.501515 -4.239399 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049997 0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 41.636135 21.890992 -2.847959 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 32.464531 19.797200 -9.029232 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 29.585530 20.990277 -9.449046 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079017 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 30.532336 24.113146 -8.950172 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033077 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 28.849916 26.167726 -8.936881 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 27.442322 27.870423 -8.877072 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 34.053859 25.511540 -8.358834 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064489 -0.081833 0.097858 0.020810 0.250721 0.061022 -0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 33.608339 22.895930 -8.597615 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole -0.006937 -0.415001 -0.020564 0.384074 0.195901 -0.173547 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 35.721678 21.275487 -8.450038 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032096 0.067519 -0.068455 0.111862 -0.234599 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 37.769131 22.082834 -7.143730 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole 0.128236 0.066192 0.098878 0.110011 0.100435 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 36.097767 26.264541 -7.059516 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150222 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 37.699700 24.456278 -5.991989 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301575 0.166371 0.195836 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 37.589838 26.528611 -5.020824 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227647 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 38.274546 28.145797 -3.319106 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 39.108220 22.880028 -5.130130 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 40.833591 22.196254 -3.543679 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 33.277509 20.720522 -8.831355 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 31.025031 20.393739 -9.239139 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017861 0.101437 -0.090246 -0.034757 -0.166574 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 31.829263 24.130580 -8.755962 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254353 -0.246051 0.014826 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 30.058933 22.551711 -9.199609 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 29.691126 25.140436 -8.943527 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027862 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 28.146119 27.019075 -8.906976 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084793 -0.000751 0.009942 -0.105319 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 33.225449 20.760080 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 40.869553 21.647609 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.427576 27.309275 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 37.929540 28.572029 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 39.120930 22.857273 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.658932 25.158132 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.289127 20.361906 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.007603 25.399587 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.636045 21.335346 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.597390 26.554628 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.698218 22.945679 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.270342 24.281931 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.762115 24.036734 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.022891 22.717200 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 36.163218 26.182114 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.964864 24.152337 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.768649 22.195720 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.168344 24.664703 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.010102 28.392966 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 42.125865 21.702341 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.771470 29.342602 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.545198 21.015222 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.406252 20.094933 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.530507 19.148292 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.681815 26.695035 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 41.202868 22.600473 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.454513 27.491626 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.499436 22.325973 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.100077 27.800106 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.265668 27.141726 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.474033 26.902402 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.732137 21.256211 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.197023 20.822062 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.039977 20.658971 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.834866 28.124204 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 25.761931 33.261300 -3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 27.617268 30.534250 -2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 26.652971 28.030079 -2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 23.390590 27.293364 -3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 22.558065 29.644775 -5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 23.529453 32.040252 -5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 22.777789 33.789441 -7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 22.160036 35.274624 -8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 20.712412 28.887750 -7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 19.107324 28.277227 -8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 28.278927 26.183435 -2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 31.157929 27.376512 -2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 30.211123 30.499380 -2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 31.893542 32.553961 -2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 33.301137 34.256658 -2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 25.761931 33.261300 -3.301918 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole 0.081100 -0.120946 -0.015291 0.151351 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 27.617268 30.534250 -2.896083 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081135 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 26.652971 28.030079 -2.824356 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 23.390590 27.293364 -3.191237 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole -0.376726 0.162146 -0.007751 -0.064505 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 22.558065 29.644775 -5.436972 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 23.529453 32.040252 -5.494719 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160108 0.001747 0.175099 -0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 22.777789 33.789441 -7.379303 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 22.160036 35.274624 -8.898155 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 20.712412 28.887750 -7.218436 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049997 -0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 19.107324 28.277227 -8.609875 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 28.278927 26.183435 -2.428602 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 31.157929 27.376512 -2.008788 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079017 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 30.211123 30.499380 -2.507663 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033077 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 31.893542 32.553961 -2.520953 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 33.301137 34.256658 -2.580763 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 26.689600 31.897775 -3.099001 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064489 0.081833 0.097858 -0.020810 -0.250721 -0.061022 0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 27.135120 29.282165 -2.860220 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole 0.006937 -0.415001 0.020564 0.384074 -0.195901 0.173547 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 25.021781 27.661722 -3.007797 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032096 -0.067519 -0.068455 -0.111862 0.234599 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 22.974328 28.469069 -4.314105 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole -0.128236 0.066192 -0.098878 0.110011 -0.100435 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 24.645692 32.650776 -4.398319 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150222 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 23.043759 30.842513 -5.465846 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301575 -0.166371 -0.195836 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 23.153621 32.914846 -6.437011 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227647 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 22.468913 34.532032 -8.138729 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 21.635238 29.266262 -6.327704 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 19.909868 28.582489 -7.914156 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 27.465949 27.106757 -2.626479 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 29.718428 26.779974 -2.218695 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017861 -0.101437 -0.090246 0.034757 0.166574 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 28.914196 30.516815 -2.701873 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254353 0.246051 0.014826 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 30.684526 28.937946 -2.258226 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 31.052333 31.526671 -2.514308 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027862 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 32.597340 33.405309 -2.550858 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084793 -0.000751 -0.009942 -0.105319 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 27.518009 27.146314 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 19.873905 28.033844 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.315882 33.695510 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 22.813919 34.958264 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.622529 29.243508 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.084527 31.544367 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.454331 26.748141 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.735855 31.785822 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.107413 27.721581 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.146068 32.940863 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.045240 29.331914 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.473116 30.668166 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.981343 30.422969 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.720568 29.103435 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.580241 32.568349 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.778595 30.538571 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.974810 28.581955 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.575114 31.050938 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.733356 34.779201 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.617594 28.088576 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.971988 35.728837 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.198261 27.401457 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.337207 26.481168 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.212952 25.534527 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.061644 33.081270 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.540590 28.986707 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.288946 33.877861 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.244023 28.712208 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.643382 34.186341 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.477790 33.527961 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.269426 33.288637 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.011321 27.642446 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.546435 27.208297 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.703482 27.045206 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.908592 34.510439 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 2.300299 24.214814 31.071586 - znuc, mass 16.000000 31.972070 - - Atom A02C 4.155636 26.941865 31.477421 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.191339 29.446035 31.549148 - znuc, mass 6.000000 12.000000 - - Atom A04S -0.071042 30.182751 31.182267 - znuc, mass 16.000000 31.972070 - - Atom A05C -0.903567 27.831340 28.936532 - znuc, mass 6.000000 12.000000 - - Atom A06C 0.067821 25.435863 28.878785 - znuc, mass 6.000000 12.000000 - - Atom A07C -0.683843 23.686674 26.994201 - znuc, mass 6.000000 12.000000 - - Atom A08N -1.301596 22.201491 25.475349 - znuc, mass 7.000000 14.003070 - - Atom A09C -2.749220 28.588364 27.155068 - znuc, mass 6.000000 12.000000 - - Atom A10N -4.354308 29.198887 25.763629 - znuc, mass 7.000000 14.003070 - - Atom A11N 4.817295 31.292679 31.944902 - znuc, mass 7.000000 14.003070 - - Atom A12S 7.696297 30.099603 32.364716 - znuc, mass 16.000000 31.972070 - - Atom A13C 6.749491 26.976734 31.865841 - znuc, mass 6.000000 12.000000 - - Atom A14C 8.431910 24.922154 31.852551 - znuc, mass 6.000000 12.000000 - - Atom A15N 9.839505 23.219456 31.792741 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 2.300299 24.214814 31.071586 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 4.155636 26.941865 31.477421 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 3.191339 29.446035 31.549148 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -0.071042 30.182751 31.182267 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -0.903567 27.831340 28.936532 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 0.067821 25.435863 28.878785 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -0.683843 23.686674 26.994201 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -1.301596 22.201491 25.475349 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -2.749220 28.588364 27.155068 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -4.354308 29.198887 25.763629 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 4.817295 31.292679 31.944902 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 7.696297 30.099603 32.364716 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 6.749491 26.976734 31.865841 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 8.431910 24.922154 31.852551 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 9.839505 23.219456 31.792741 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 3.227968 25.578340 31.274503 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 3.673488 28.193950 31.513284 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 1.560148 29.814393 31.365707 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -0.487304 29.007045 30.059399 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 1.184060 24.825339 29.975185 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -0.417873 26.633601 28.907658 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -0.308011 24.561268 27.936493 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -0.992719 22.944082 26.234775 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -1.826394 28.209852 28.045800 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -3.551764 28.893626 26.459348 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 4.004317 30.369357 31.747025 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 6.256796 30.696141 32.154809 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 5.452564 26.959299 31.671631 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 7.222894 28.538168 32.115278 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 7.590701 25.949444 31.859196 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 9.135708 24.070805 31.822646 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 3.583608 28.144200 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -3.921042 28.489407 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.854169 23.780537 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -1.553040 22.965676 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.886518 26.425177 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.241850 30.430909 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.084803 30.267818 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.274223 25.690292 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.645781 29.754533 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.839103 28.232607 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.622894 25.931747 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.315564 24.535251 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.316963 26.937543 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.258936 28.372680 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.486822 28.894160 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.519711 27.053146 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.118609 24.907766 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.011484 26.807948 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.271724 22.696914 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.844038 29.387539 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.489644 21.747277 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.992699 30.727973 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.751320 31.941587 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.450311 29.833668 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.016264 23.948244 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.217610 28.763906 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.807794 24.187477 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.587727 29.442270 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.647714 22.517850 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.599988 24.394823 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.827314 23.598254 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.124425 30.994947 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.736629 30.074657 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.056377 30.329800 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.818249 23.289773 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 11.519895 17.828580 26.217588 - znuc, mass 16.000000 31.972070 - - Atom A02C 9.664558 20.555630 25.811752 - znuc, mass 6.000000 12.000000 - - Atom A03C 10.628855 23.059800 25.740026 - znuc, mass 6.000000 12.000000 - - Atom A04S 13.891237 23.796516 26.106907 - znuc, mass 16.000000 31.972070 - - Atom A05C 14.723761 21.445105 28.352642 - znuc, mass 6.000000 12.000000 - - Atom A06C 13.752374 19.049628 28.410388 - znuc, mass 6.000000 12.000000 - - Atom A07C 14.504037 17.300439 30.294972 - znuc, mass 6.000000 12.000000 - - Atom A08N 15.121790 15.815256 31.813824 - znuc, mass 7.000000 14.003070 - - Atom A09C 16.569415 22.202129 30.134105 - znuc, mass 6.000000 12.000000 - - Atom A10N 18.174503 22.812652 31.525545 - znuc, mass 7.000000 14.003070 - - Atom A11N 9.002899 24.906444 25.344272 - znuc, mass 7.000000 14.003070 - - Atom A12S 6.123898 23.713368 24.924458 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.070704 20.590499 25.423332 - znuc, mass 6.000000 12.000000 - - Atom A14C 5.388284 18.535919 25.436623 - znuc, mass 6.000000 12.000000 - - Atom A15N 3.980690 16.833221 25.496432 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 11.519895 17.828580 26.217588 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 9.664558 20.555630 25.811752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 10.628855 23.059800 25.740026 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 13.891237 23.796516 26.106907 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 14.723761 21.445105 28.352642 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 13.752374 19.049628 28.410388 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 14.504037 17.300439 30.294972 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 15.121790 15.815256 31.813824 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 16.569415 22.202129 30.134105 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 18.174503 22.812652 31.525545 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 9.002899 24.906444 25.344272 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 6.123898 23.713368 24.924458 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.070704 20.590499 25.423332 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 5.388284 18.535919 25.436623 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 3.980690 16.833221 25.496432 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 10.592227 19.192105 26.014670 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 10.146707 21.807715 25.775889 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 12.260046 23.428158 25.923466 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 14.307499 22.620810 27.229774 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 12.636135 18.439104 27.313988 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 14.238068 20.247366 28.381515 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 14.128206 18.175033 29.352680 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 14.812914 16.557847 31.054398 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 15.646588 21.823617 29.243374 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 17.371959 22.507391 30.829825 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 9.815877 23.983122 25.542149 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 7.563399 24.309906 25.134365 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 8.367631 20.573065 25.617542 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 6.597301 22.151933 25.173895 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 6.229494 19.563209 25.429977 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 4.684487 17.684570 25.466528 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 10.236586 21.757965 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 17.741236 22.103172 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.966026 17.394302 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 15.373234 16.579441 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.706712 20.038942 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.578345 24.044674 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.735392 23.881583 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.545971 19.304057 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.174413 23.368298 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.659298 21.846372 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.197300 19.545512 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.135758 18.149016 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.503232 20.551308 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.561259 21.986445 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.307017 22.507925 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.300483 20.666911 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.701586 18.521531 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.808710 20.421713 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.548470 16.310679 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.664233 23.001304 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.309838 15.361042 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.827495 24.341738 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.068875 25.555353 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.270505 23.447433 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.803931 17.562009 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.037804 22.377672 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.012401 17.801242 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.407921 23.056035 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.467909 16.131615 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.220207 18.008588 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.992881 17.212019 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.944620 24.608712 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.083565 23.688423 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.763817 23.943565 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.638444 16.903538 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 26.900854 26.875065 14.759753 - znuc, mass 16.000000 31.972070 - - Atom A02C 25.045519 24.148014 14.353917 - znuc, mass 6.000000 12.000000 - - Atom A03C 26.009817 21.643844 14.282191 - znuc, mass 6.000000 12.000000 - - Atom A04S 29.272198 20.907130 14.649073 - znuc, mass 16.000000 31.972070 - - Atom A05C 30.104721 23.258541 16.894808 - znuc, mass 6.000000 12.000000 - - Atom A06C 29.133333 25.654018 16.952554 - znuc, mass 6.000000 12.000000 - - Atom A07C 29.884995 27.403207 18.837138 - znuc, mass 6.000000 12.000000 - - Atom A08N 30.502747 28.888391 20.355990 - znuc, mass 7.000000 14.003070 - - Atom A09C 31.950375 22.501518 18.676272 - znuc, mass 6.000000 12.000000 - - Atom A10N 33.555463 21.890996 20.067712 - znuc, mass 7.000000 14.003070 - - Atom A11N 24.383862 19.797199 13.886437 - znuc, mass 7.000000 14.003070 - - Atom A12S 21.504860 20.990274 13.466623 - znuc, mass 16.000000 31.972070 - - Atom A13C 22.451664 24.113143 13.965497 - znuc, mass 6.000000 12.000000 - - Atom A14C 20.769244 26.167723 13.978787 - znuc, mass 6.000000 12.000000 - - Atom A15N 19.361648 27.870420 14.038596 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 26.900854 26.875065 14.759753 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200252 0.667129 -0.867381 0.820424 2.014536 -0.644901 - octupole -0.081100 -0.120945 0.015291 0.151350 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 25.045519 24.148014 14.353917 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026088 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081134 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 26.009817 21.643844 14.282191 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 29.272198 20.907130 14.649073 - znuc, monopole 16.000000 -15.424149 - dipole -0.645105 0.702589 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883321 - octupole 0.376726 0.162146 0.007751 -0.064504 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 30.104721 23.258541 16.894808 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172782 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 29.133333 25.654018 16.952554 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160109 -0.001747 -0.175100 0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 29.884995 27.403207 18.837138 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 30.502747 28.888391 20.355990 - znuc, monopole 7.000000 -6.844356 - dipole -0.128196 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 31.950375 22.501518 18.676272 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065351 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049998 0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 33.555463 21.890996 20.067712 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 24.383862 19.797199 13.886437 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109388 -0.037751 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 21.504860 20.990274 13.466623 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657691 1.380421 -2.038112 -0.516799 0.477705 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079016 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 22.451664 24.113143 13.965497 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102512 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033078 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 20.769244 26.167723 13.978787 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447125 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 19.361648 27.870420 14.038596 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013044 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 25.973186 25.511540 14.556835 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127967 0.303138 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064490 -0.081833 0.097857 0.020810 0.250721 0.061023 -0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 25.527668 22.895929 14.318054 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099040 0.017364 - octupole -0.006938 -0.415001 -0.020563 0.384074 0.195901 -0.173546 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 27.641008 21.275487 14.465632 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032097 0.067519 -0.068455 0.111862 -0.234600 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 29.688460 22.082836 15.771940 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121103 0.078949 0.001930 0.434804 - octupole 0.128235 0.066191 0.098878 0.110012 0.100436 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 28.017094 26.264542 15.856154 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231615 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150223 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 29.619027 24.456280 16.923681 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301576 0.166371 0.195835 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 29.509164 26.528613 17.894846 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006089 -0.183194 -0.206575 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227648 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 30.193871 28.145799 19.596564 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226596 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 31.027548 22.880030 17.785540 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142766 -0.071307 0.108121 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 32.752919 22.196257 19.371992 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 25.196839 20.720522 14.084314 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270648 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 22.944361 20.393737 13.676530 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026718 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017862 0.101437 -0.090246 -0.034757 -0.166575 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 23.748591 24.130579 14.159707 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254354 -0.246051 0.014825 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 21.978262 22.551709 13.716060 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 21.610454 25.140433 13.972142 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027863 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 20.065446 27.019071 14.008692 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053653 0.238490 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084792 -0.000751 0.009942 -0.105320 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 25.144779 20.760079 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 32.788882 21.647612 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.346903 27.309272 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 29.848865 28.572031 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.040258 22.857275 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.578260 25.158130 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.208458 20.361905 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.926931 25.399587 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.555375 21.335347 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.516717 26.554630 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.617547 22.945679 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.189670 24.281933 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.681444 24.036733 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.942220 22.717197 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.082545 26.182115 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.884192 24.152335 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.687978 22.195721 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.087672 24.664704 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.929429 28.392962 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.045193 21.702344 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.690795 29.342604 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.464528 21.015220 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.325582 20.094934 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.449837 19.148291 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.601142 26.695031 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.122196 22.600476 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.373840 27.491626 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.418764 22.325976 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.019403 27.800108 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.184995 27.141723 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.393360 26.902403 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.651467 21.256212 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.116353 20.822059 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.959306 20.658970 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.754192 28.124206 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 17.681260 33.261300 19.613751 - znuc, mass 16.000000 31.972070 - - Atom A02C 19.536596 30.534249 20.019587 - znuc, mass 6.000000 12.000000 - - Atom A03C 18.572298 28.030079 20.091313 - znuc, mass 6.000000 12.000000 - - Atom A04S 15.309916 27.293365 19.724431 - znuc, mass 16.000000 31.972070 - - Atom A05C 14.477393 29.644776 17.478696 - znuc, mass 6.000000 12.000000 - - Atom A06C 15.448781 32.040253 17.420950 - znuc, mass 6.000000 12.000000 - - Atom A07C 14.697119 33.789442 15.536366 - znuc, mass 6.000000 12.000000 - - Atom A08N 14.079367 35.274626 14.017514 - znuc, mass 7.000000 14.003070 - - Atom A09C 12.631739 28.887753 15.697232 - znuc, mass 6.000000 12.000000 - - Atom A10N 11.026651 28.277231 14.305792 - znuc, mass 7.000000 14.003070 - - Atom A11N 20.198253 26.183434 20.487067 - znuc, mass 7.000000 14.003070 - - Atom A12S 23.077255 27.376509 20.906881 - znuc, mass 16.000000 31.972070 - - Atom A13C 22.130451 30.499378 20.408007 - znuc, mass 6.000000 12.000000 - - Atom A14C 23.812871 32.553958 20.394717 - znuc, mass 6.000000 12.000000 - - Atom A15N 25.220466 34.256655 20.334908 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 17.681260 33.261300 19.613751 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200252 0.667129 -0.867381 -0.820424 2.014536 0.644901 - octupole 0.081100 -0.120945 -0.015291 0.151350 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 19.536596 30.534249 20.019587 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026088 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081134 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 18.572298 28.030079 20.091313 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 15.309916 27.293365 19.724431 - znuc, monopole 16.000000 -15.424149 - dipole 0.645105 0.702589 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883321 - octupole -0.376726 0.162146 -0.007751 -0.064504 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 14.477393 29.644776 17.478696 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172782 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 15.448781 32.040253 17.420950 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160109 0.001747 0.175100 -0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 14.697119 33.789442 15.536366 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 14.079367 35.274626 14.017514 - znuc, monopole 7.000000 -6.844356 - dipole 0.128196 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 12.631739 28.887753 15.697232 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065351 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049998 -0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 11.026651 28.277231 14.305792 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 20.198253 26.183434 20.487067 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109388 0.037751 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 23.077255 27.376509 20.906881 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657691 1.380421 -2.038112 0.516799 0.477705 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079016 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 22.130451 30.499378 20.408007 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102512 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033078 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 23.812871 32.553958 20.394717 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447125 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 25.220466 34.256655 20.334908 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013044 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 18.608928 31.897774 19.816669 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127967 0.303138 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064490 0.081833 0.097857 -0.020810 -0.250721 -0.061023 0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 19.054447 29.282164 20.055450 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099040 -0.017364 - octupole 0.006938 -0.415001 0.020563 0.384074 -0.195901 0.173546 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 16.941107 27.661722 19.907872 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032097 -0.067519 -0.068455 -0.111862 0.234600 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 14.893655 28.469071 18.601564 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121103 -0.078949 0.001930 -0.434804 - octupole -0.128235 0.066191 -0.098878 0.110012 -0.100436 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 16.565021 32.650776 18.517351 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231615 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150223 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 14.963087 30.842515 17.449823 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301576 -0.166371 -0.195835 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 15.072950 32.914848 16.478658 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006089 -0.183194 0.206575 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227648 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 14.388243 34.532034 14.776940 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226596 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 13.554566 29.266265 16.587964 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142766 -0.071307 -0.108121 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 11.829195 28.582492 15.001512 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 19.385275 27.106757 20.289190 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270648 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 21.637754 26.779972 20.696974 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026718 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017862 -0.101437 -0.090246 0.034757 0.166575 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 20.833523 30.516814 20.213797 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254354 0.246051 0.014825 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 22.603853 28.937944 20.657444 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 22.971661 31.526668 20.401362 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027863 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 24.516668 33.405306 20.364812 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053653 0.238490 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084792 -0.000751 -0.009942 -0.105320 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 19.437335 27.146314 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 11.793233 28.033847 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.235211 33.695507 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 14.733249 34.958265 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.541856 29.243510 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.003855 31.544365 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.373657 26.748140 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.655183 31.785822 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.026740 27.721582 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.065398 32.940865 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.964567 29.331914 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.392445 30.668167 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.900671 30.422967 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.639895 29.103432 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.499570 32.568350 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.697922 30.538570 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.894137 28.581956 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.494442 31.050939 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.652686 34.779197 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.536921 28.088579 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.891319 35.728839 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.117587 27.401455 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.256533 26.481169 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.132277 25.534526 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.980972 33.081266 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.459918 28.986711 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.208275 33.877861 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.163350 28.712211 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.562712 34.186343 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.397119 33.527958 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.188755 33.288638 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.930648 27.642447 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.465761 27.208294 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.622808 27.045205 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.827923 34.510441 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 10.380970 36.987284 8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 12.236307 39.714335 8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 11.272010 42.218505 8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 8.009629 42.955220 8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 7.177104 40.603810 6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 8.148492 38.208333 5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 7.396829 36.459144 4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 6.779075 34.973961 2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 5.331451 41.360834 4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 3.726363 41.971357 2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 12.897966 44.065149 9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 15.776968 42.872073 9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 14.830162 39.749204 8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 16.512581 37.694624 8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 17.920176 35.991926 8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 10.380970 36.987284 8.155916 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 12.236307 39.714335 8.561752 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 11.272010 42.218505 8.633478 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 8.009629 42.955220 8.266597 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 7.177104 40.603810 6.020862 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 8.148492 38.208333 5.963116 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 7.396829 36.459144 4.078532 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 6.779075 34.973961 2.559680 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 5.331451 41.360834 4.239399 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 3.726363 41.971357 2.847959 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 12.897966 44.065149 9.029232 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 15.776968 42.872073 9.449046 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 14.830162 39.749204 8.950172 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 16.512581 37.694624 8.936881 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 17.920176 35.991926 8.877072 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 11.308639 38.350810 8.358834 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 11.754159 40.966420 8.597615 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 9.640820 42.586863 8.450038 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 7.593367 41.779515 7.143730 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 9.264731 37.597809 7.059516 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 7.662798 39.406071 5.991989 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 7.772660 37.333738 5.020824 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 7.087952 35.716552 3.319106 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 6.254278 40.982322 5.130130 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 4.528907 41.666096 3.543679 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 12.084988 43.141827 8.831355 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 14.337467 43.468611 9.239139 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 13.533235 39.731769 8.755962 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 15.303565 41.310638 9.199609 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 15.671372 38.721914 8.943527 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 17.216379 36.843275 8.906976 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 11.664279 40.916670 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 4.159630 41.261877 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.934840 36.553007 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 6.527631 35.738146 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.194153 39.197647 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.322521 43.203379 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.165474 43.040288 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.354894 38.462762 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.726452 42.527003 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.241568 41.005076 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.703566 38.704217 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.765107 37.307721 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.397634 39.710013 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.339607 41.145150 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.593849 41.666630 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.600382 39.825616 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.199280 37.680236 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.092155 39.580418 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.352395 35.469384 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.236633 42.160009 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.591027 34.519747 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.073370 43.500443 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.831991 44.714057 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.630360 42.606138 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.096935 36.720714 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.863062 41.536376 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.888465 36.959947 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.492944 42.214740 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.432957 35.290320 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.680659 37.167293 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.907985 36.370723 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.956246 43.767417 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.817300 42.847127 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.137048 43.102270 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.262422 36.062243 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 19.600566 30.601049 3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 17.745230 33.328100 2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 18.709526 35.832270 2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 21.971908 36.568986 3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 22.804432 34.217575 5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 21.833045 31.822098 5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 22.584708 30.072909 7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 23.202461 28.587726 8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 24.650086 34.974599 7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 26.255174 35.585122 8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 17.083570 37.678914 2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 14.204569 36.485838 2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 15.151375 33.362969 2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 13.468955 31.308389 2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 12.061361 29.605691 2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 19.600566 30.601049 3.301918 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 17.745230 33.328100 2.896083 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 18.709526 35.832270 2.824356 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 21.971908 36.568986 3.191237 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 22.804432 34.217575 5.436972 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 21.833045 31.822098 5.494719 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 22.584708 30.072909 7.379303 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 23.202461 28.587726 8.898155 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 24.650086 34.974599 7.218436 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 26.255174 35.585122 8.609875 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 17.083570 37.678914 2.428602 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 14.204569 36.485838 2.008788 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 15.151375 33.362969 2.507663 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 13.468955 31.308389 2.520953 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 12.061361 29.605691 2.580763 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 18.672898 31.964575 3.099001 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 18.227378 34.580185 2.860220 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 20.340717 36.200628 3.007797 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 22.388170 35.393280 4.314105 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 20.716806 31.211574 4.398319 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 22.318739 33.019836 5.465846 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 22.208877 30.947503 6.437011 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 22.893585 29.330317 8.138729 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 23.727259 34.596087 6.327704 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 25.452630 35.279861 7.914156 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 17.896548 36.755592 2.626479 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 15.644070 37.082376 2.218695 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 16.448302 33.345534 2.701873 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 14.677972 34.924403 2.258226 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 14.310165 32.335679 2.514308 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 12.765158 30.457040 2.550858 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 18.317257 34.530435 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 25.821907 34.875642 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.046697 30.166772 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 23.453906 29.351911 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.787384 32.811412 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.659016 36.817144 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.816063 36.654053 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.626643 32.076527 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.255084 36.140768 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.739969 34.618841 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.277971 32.317982 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.216429 30.921486 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.583903 33.323778 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.641930 34.758915 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.387688 35.280395 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.381154 33.439381 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.782257 31.294001 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.889381 33.194183 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.629141 29.083149 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.744904 35.773774 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.390509 28.133512 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.908167 37.114208 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.149546 38.327822 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.351176 36.219903 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.884602 30.334479 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.118475 35.150141 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.093072 30.573712 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.488592 35.828505 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.548580 28.904085 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.300878 30.781058 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.073552 29.984488 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.025291 37.381182 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.164236 36.460892 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.844488 36.716035 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.719115 29.676008 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 34.981527 39.647535 -8.155916 - znuc, mass 16.000000 31.972070 - - Atom A02C 33.126190 36.920485 -8.561752 - znuc, mass 6.000000 12.000000 - - Atom A03C 34.090487 34.416314 -8.633478 - znuc, mass 6.000000 12.000000 - - Atom A04S 37.352869 33.679599 -8.266597 - znuc, mass 16.000000 31.972070 - - Atom A05C 38.185393 36.031010 -6.020862 - znuc, mass 6.000000 12.000000 - - Atom A06C 37.214006 38.426487 -5.963116 - znuc, mass 6.000000 12.000000 - - Atom A07C 37.965669 40.175676 -4.078532 - znuc, mass 6.000000 12.000000 - - Atom A08N 38.583422 41.660859 -2.559680 - znuc, mass 7.000000 14.003070 - - Atom A09C 40.031047 35.273985 -4.239399 - znuc, mass 6.000000 12.000000 - - Atom A10N 41.636135 34.663462 -2.847959 - znuc, mass 7.000000 14.003070 - - Atom A11N 32.464531 32.569670 -9.029232 - znuc, mass 7.000000 14.003070 - - Atom A12S 29.585530 33.762747 -9.449046 - znuc, mass 16.000000 31.972070 - - Atom A13C 30.532336 36.885615 -8.950172 - znuc, mass 6.000000 12.000000 - - Atom A14C 28.849916 38.940195 -8.936881 - znuc, mass 6.000000 12.000000 - - Atom A15N 27.442322 40.642893 -8.877072 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 34.981527 39.647535 -8.155916 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole -0.081100 -0.120946 0.015291 0.151351 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 33.126190 36.920485 -8.561752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081135 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 34.090487 34.416314 -8.633478 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 37.352869 33.679599 -8.266597 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole 0.376726 0.162146 0.007751 -0.064505 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 38.185393 36.031010 -6.020862 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 37.214006 38.426487 -5.963116 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160108 -0.001747 -0.175099 0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 37.965669 40.175676 -4.078532 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 38.583422 41.660859 -2.559680 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 40.031047 35.273985 -4.239399 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049997 0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 41.636135 34.663462 -2.847959 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 32.464531 32.569670 -9.029232 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 29.585530 33.762747 -9.449046 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079017 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 30.532336 36.885615 -8.950172 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033077 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 28.849916 38.940195 -8.936881 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 27.442322 40.642893 -8.877072 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 34.053859 38.284010 -8.358834 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064489 -0.081833 0.097858 0.020810 0.250721 0.061022 -0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 33.608339 35.668399 -8.597615 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole -0.006937 -0.415001 -0.020564 0.384074 0.195901 -0.173547 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 35.721678 34.047957 -8.450038 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032096 0.067519 -0.068455 0.111862 -0.234599 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 37.769131 34.855304 -7.143730 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole 0.128236 0.066192 0.098878 0.110011 0.100435 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 36.097767 39.037011 -7.059516 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150222 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 37.699700 37.228748 -5.991989 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301575 0.166371 0.195836 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 37.589838 39.301081 -5.020824 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227647 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 38.274546 40.918267 -3.319106 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 39.108220 35.652497 -5.130130 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 40.833591 34.968724 -3.543679 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 33.277509 33.492992 -8.831355 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 31.025031 33.166209 -9.239139 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017861 0.101437 -0.090246 -0.034757 -0.166574 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 31.829263 36.903050 -8.755962 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254353 -0.246051 0.014826 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 30.058933 35.324181 -9.199609 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 29.691126 37.912905 -8.943527 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027862 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 28.146119 39.791544 -8.906976 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084793 -0.000751 0.009942 -0.105319 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 33.225449 33.532549 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 40.869553 34.420079 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.427576 40.081745 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 37.929540 41.344499 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 39.120930 35.629743 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.658932 37.930602 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.289127 33.134376 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.007603 38.172057 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.636045 34.107816 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.597390 39.327098 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.698218 35.718149 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.270342 37.054401 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.762115 36.809204 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.022891 35.489670 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 36.163218 38.954584 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.964864 36.924806 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.768649 34.968190 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.168344 37.437172 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.010102 41.165436 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 42.125865 34.474811 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.771470 42.115072 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.545198 33.787692 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.406252 32.867403 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.530507 31.920762 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.681815 39.467504 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 41.202868 35.372942 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.454513 40.264096 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.499436 35.098443 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.100077 40.572576 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.265668 39.914196 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.474033 39.674872 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.732137 34.028681 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.197023 33.594532 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.039977 33.431441 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.834866 40.896674 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 25.761931 46.033770 -3.301918 - znuc, mass 16.000000 31.972070 - - Atom A02C 27.617268 43.306720 -2.896083 - znuc, mass 6.000000 12.000000 - - Atom A03C 26.652971 40.802549 -2.824356 - znuc, mass 6.000000 12.000000 - - Atom A04S 23.390590 40.065834 -3.191237 - znuc, mass 16.000000 31.972070 - - Atom A05C 22.558065 42.417244 -5.436972 - znuc, mass 6.000000 12.000000 - - Atom A06C 23.529453 44.812722 -5.494719 - znuc, mass 6.000000 12.000000 - - Atom A07C 22.777789 46.561911 -7.379303 - znuc, mass 6.000000 12.000000 - - Atom A08N 22.160036 48.047093 -8.898155 - znuc, mass 7.000000 14.003070 - - Atom A09C 20.712412 41.660220 -7.218436 - znuc, mass 6.000000 12.000000 - - Atom A10N 19.107324 41.049697 -8.609875 - znuc, mass 7.000000 14.003070 - - Atom A11N 28.278927 38.955905 -2.428602 - znuc, mass 7.000000 14.003070 - - Atom A12S 31.157929 40.148982 -2.008788 - znuc, mass 16.000000 31.972070 - - Atom A13C 30.211123 43.271850 -2.507663 - znuc, mass 6.000000 12.000000 - - Atom A14C 31.893542 45.326430 -2.520953 - znuc, mass 6.000000 12.000000 - - Atom A15N 33.301137 47.029128 -2.580763 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 25.761931 46.033770 -3.301918 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole 0.081100 -0.120946 -0.015291 0.151351 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 27.617268 43.306720 -2.896083 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081135 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 26.652971 40.802549 -2.824356 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 23.390590 40.065834 -3.191237 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole -0.376726 0.162146 -0.007751 -0.064505 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 22.558065 42.417244 -5.436972 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 23.529453 44.812722 -5.494719 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160108 0.001747 0.175099 -0.000672 -0.097660 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 22.777789 46.561911 -7.379303 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 22.160036 48.047093 -8.898155 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 20.712412 41.660220 -7.218436 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049997 -0.053688 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 19.107324 41.049697 -8.609875 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 28.278927 38.955905 -2.428602 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 31.157929 40.148982 -2.008788 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079017 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 30.211123 43.271850 -2.507663 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033077 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 31.893542 45.326430 -2.520953 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 33.301137 47.029128 -2.580763 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 26.689600 44.670245 -3.099001 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064489 0.081833 0.097858 -0.020810 -0.250721 -0.061022 0.115691 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 27.135120 42.054634 -2.860220 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole 0.006937 -0.415001 0.020564 0.384074 -0.195901 0.173547 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 25.021781 40.434192 -3.007797 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032096 -0.067519 -0.068455 -0.111862 0.234599 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 22.974328 41.241539 -4.314105 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole -0.128236 0.066192 -0.098878 0.110011 -0.100435 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 24.645692 45.423246 -4.398319 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150222 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159880 0.509238 0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 23.043759 43.614983 -5.465846 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301575 -0.166371 -0.195836 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 23.153621 45.687316 -6.437011 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227647 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 22.468913 47.304502 -8.138729 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 21.635238 42.038732 -6.327704 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 19.909868 41.354959 -7.914156 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 27.465949 39.879227 -2.626479 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 29.718428 39.552444 -2.218695 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017861 -0.101437 -0.090246 0.034757 0.166574 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 28.914196 43.289285 -2.701873 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254353 0.246051 0.014826 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 30.684526 41.710416 -2.258226 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 31.052333 44.299140 -2.514308 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027862 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 32.597340 46.177779 -2.550858 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084793 -0.000751 -0.009942 -0.105319 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 27.518009 39.918784 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 19.873905 40.806314 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.315882 46.467980 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 22.813919 47.730734 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.622529 42.015978 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.084527 44.316837 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.454331 39.520611 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.735855 44.558292 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.107413 40.494051 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.146068 45.713333 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.045240 42.104384 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.473116 43.440636 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.981343 43.195439 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.720568 41.875905 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.580241 45.340819 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.778595 43.311041 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.974810 41.354425 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.575114 43.823407 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.733356 47.551671 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.617594 40.861046 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.971988 48.501307 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.198261 40.173927 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.337207 39.253638 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.212952 38.306997 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.061644 45.853739 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.540590 41.759177 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.288946 46.650331 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.244023 41.484678 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.643382 46.958811 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.477790 46.300431 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.269426 46.061107 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.011321 40.414916 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.546435 39.980766 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.703482 39.817676 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.908592 47.282909 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 2.300299 36.987284 31.071586 - znuc, mass 16.000000 31.972070 - - Atom A02C 4.155636 39.714335 31.477421 - znuc, mass 6.000000 12.000000 - - Atom A03C 3.191339 42.218505 31.549148 - znuc, mass 6.000000 12.000000 - - Atom A04S -0.071042 42.955220 31.182267 - znuc, mass 16.000000 31.972070 - - Atom A05C -0.903567 40.603810 28.936532 - znuc, mass 6.000000 12.000000 - - Atom A06C 0.067821 38.208333 28.878785 - znuc, mass 6.000000 12.000000 - - Atom A07C -0.683843 36.459144 26.994201 - znuc, mass 6.000000 12.000000 - - Atom A08N -1.301596 34.973961 25.475349 - znuc, mass 7.000000 14.003070 - - Atom A09C -2.749220 41.360834 27.155068 - znuc, mass 6.000000 12.000000 - - Atom A10N -4.354308 41.971357 25.763629 - znuc, mass 7.000000 14.003070 - - Atom A11N 4.817295 44.065149 31.944902 - znuc, mass 7.000000 14.003070 - - Atom A12S 7.696297 42.872073 32.364716 - znuc, mass 16.000000 31.972070 - - Atom A13C 6.749491 39.749204 31.865841 - znuc, mass 6.000000 12.000000 - - Atom A14C 8.431910 37.694624 31.852551 - znuc, mass 6.000000 12.000000 - - Atom A15N 9.839505 35.991926 31.792741 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 2.300299 36.987284 31.071586 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 1.019605 -0.491700 - duadrupole 0.200253 0.667129 -0.867382 0.820424 2.014536 -0.644902 - octupole 0.081100 0.120946 -0.015291 -0.151351 0.112179 -0.258142 -0.096888 0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 4.155636 39.714335 31.477421 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 -0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026087 0.009793 - octupole -0.080562 -0.064792 -0.069734 0.081135 0.040643 0.191017 0.029091 -0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 3.191339 42.218505 31.549148 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole 0.154202 0.066939 -0.010607 -0.076422 0.037680 -0.126335 -0.027074 -0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S -0.071042 42.955220 31.182267 - znuc, monopole 16.000000 -15.424149 - dipole 0.645104 -0.702590 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883320 - octupole -0.376726 -0.162146 -0.007751 0.064505 -0.144810 0.217808 0.152561 0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C -0.903567 40.603810 28.936532 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 -0.012964 -0.126299 - duadrupole -0.086713 0.172783 -0.086070 -0.198246 0.015502 0.024956 - octupole -0.056685 0.087927 -0.028493 -0.015828 0.161274 0.009131 -0.132781 0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 0.067821 38.208333 28.878785 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 -0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole -0.001075 -0.050214 -0.014991 -0.047446 -0.160108 0.001747 0.175099 -0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C -0.683843 36.459144 26.994201 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 -0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole 0.066905 0.052623 0.037692 0.033015 0.046038 -0.056469 -0.083730 -0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N -1.301596 34.973961 25.475349 - znuc, monopole 7.000000 -6.844356 - dipole 0.128197 0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole -0.024985 -0.019560 -0.010956 -0.010338 -0.013703 0.014533 0.024660 0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C -2.749220 41.360834 27.155068 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 0.134363 -0.337213 - duadrupole 0.044076 -0.065352 0.021276 0.052673 0.059479 0.009395 - octupole -0.000862 -0.071606 0.028175 0.027284 -0.078173 0.054551 0.049997 -0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N -4.354308 41.971357 25.763629 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 -0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole -0.001131 0.023490 -0.018307 -0.014058 0.034435 -0.020126 -0.016128 0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 4.817295 44.065149 31.944902 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 -0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109387 -0.037752 - octupole -0.049872 -0.009996 0.025010 -0.027426 -0.025766 0.018699 0.000756 0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 7.696297 42.872073 32.364716 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 -0.461479 -0.227968 - duadrupole 0.657690 1.380422 -2.038112 -0.516798 0.477704 0.276530 - octupole 0.079313 0.431186 -0.101331 -0.400784 0.037962 0.079017 0.063368 -0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 6.749491 39.749204 31.865841 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 -0.118662 0.023762 - duadrupole 0.102513 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole 0.066522 -0.033296 0.033077 0.141141 -0.015825 -0.201472 -0.017252 0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 8.431910 37.694624 31.852551 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 -0.447126 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole -0.082638 0.017348 0.002354 -0.067724 -0.011182 0.121329 0.008828 -0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 9.839505 35.991926 31.792741 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013045 0.009826 - octupole 0.020681 -0.004365 -0.003281 0.025182 0.001816 -0.038396 0.001465 0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 3.227968 38.350810 31.274503 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 -0.204132 0.059744 - duadrupole -0.127966 0.303137 -0.175171 0.361286 0.022579 0.002456 - octupole 0.135031 -0.064489 0.081833 -0.097858 -0.020810 -0.250721 -0.061022 0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 3.673488 40.966420 31.513284 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 -0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099039 0.017363 - octupole 0.006937 0.415001 0.020564 -0.384074 -0.195901 0.173547 0.175337 -0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 1.560148 42.586863 31.365707 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole -0.362347 0.032096 -0.067519 0.068455 -0.111862 0.234599 0.179381 0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 -0.487304 41.779515 30.059399 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121104 0.078949 0.001930 0.434804 - octupole -0.128236 -0.066192 -0.098878 -0.110011 -0.100435 0.054183 0.199314 0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 1.184060 37.597809 29.975185 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 -0.216246 0.112894 - duadrupole 0.231616 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole -0.150222 0.184993 0.116290 0.324246 0.434434 -0.009658 -0.550724 0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 -0.417873 39.406071 28.907658 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole 0.190699 -0.292172 0.613901 0.301575 -0.166371 -0.195836 -0.447530 0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 -0.308011 37.333738 27.936493 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 0.079077 0.047152 - duadrupole 0.177104 0.006090 -0.183194 -0.206576 0.019465 -0.143936 - octupole 0.090233 0.197003 -0.239935 -0.184502 0.227647 -0.047722 0.012288 -0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 -0.992719 35.716552 26.234775 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 -0.228151 -0.227536 - duadrupole -0.226595 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole -0.091256 -0.060414 -0.057038 -0.055047 -0.054877 0.044246 0.111914 0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 -1.826394 40.982322 28.045800 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142767 -0.071307 0.108122 - octupole -0.091909 0.188995 -0.277331 -0.069309 -0.049758 0.131139 0.327089 -0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 -3.551764 41.666096 26.459348 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole -0.040090 0.095467 -0.079919 -0.058683 0.126158 -0.051889 -0.046239 0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 4.004317 43.141827 31.747025 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 -0.115721 -0.003434 - duadrupole 0.270647 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole -0.344269 0.046395 0.191856 0.007750 -0.171132 0.125564 -0.020724 0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 6.256796 43.468611 32.154809 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 -0.026719 0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole -0.052482 0.017861 -0.101437 0.090246 0.034757 0.166574 0.066680 -0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 5.452564 39.731769 31.671631 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole 0.195067 -0.254353 0.246051 -0.014826 0.033884 -0.213914 -0.279935 0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 7.222894 41.310638 32.115278 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole -0.174029 0.208769 -0.072703 -0.067761 -0.017390 0.228215 0.090093 -0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 7.590701 38.721914 31.859196 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole -0.138702 0.038897 -0.021776 -0.027862 -0.007098 0.125103 0.028874 0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 9.135708 36.843275 31.822646 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 -0.265565 -0.005667 - duadrupole 0.053652 0.238491 -0.292143 -0.457319 -0.029902 0.030180 - octupole 0.084793 0.000751 -0.009942 0.105319 0.003154 -0.171502 0.006789 0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 3.583608 40.916670 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -3.921042 41.261877 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.854169 36.553007 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords -1.553040 35.738146 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.886518 39.197647 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.241850 43.203379 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.084803 43.040288 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.274223 38.462762 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.645781 42.527003 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.839103 41.005076 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.622894 38.704217 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.315564 37.307721 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.316963 39.710013 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.258936 41.145150 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.486822 41.666630 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.519711 39.825616 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.118609 37.680236 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.011484 39.580418 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.271724 35.469384 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.844038 42.160009 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.489644 34.519747 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.992699 43.500443 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.751320 44.714057 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.450311 42.606138 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.016264 36.720714 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.217610 41.536376 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.807794 36.959947 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.587727 42.214740 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.647714 35.290320 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.599988 37.167293 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.827314 36.370723 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.124425 43.767417 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.736629 42.847127 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.056377 43.102270 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.818249 36.062243 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_1_L - Atom A01S 11.519895 30.601049 26.217588 - znuc, mass 16.000000 31.972070 - - Atom A02C 9.664558 33.328100 25.811752 - znuc, mass 6.000000 12.000000 - - Atom A03C 10.628855 35.832270 25.740026 - znuc, mass 6.000000 12.000000 - - Atom A04S 13.891237 36.568986 26.106907 - znuc, mass 16.000000 31.972070 - - Atom A05C 14.723761 34.217575 28.352642 - znuc, mass 6.000000 12.000000 - - Atom A06C 13.752374 31.822098 28.410388 - znuc, mass 6.000000 12.000000 - - Atom A07C 14.504037 30.072909 30.294972 - znuc, mass 6.000000 12.000000 - - Atom A08N 15.121790 28.587726 31.813824 - znuc, mass 7.000000 14.003070 - - Atom A09C 16.569415 34.974599 30.134105 - znuc, mass 6.000000 12.000000 - - Atom A10N 18.174503 35.585122 31.525545 - znuc, mass 7.000000 14.003070 - - Atom A11N 9.002899 37.678914 25.344272 - znuc, mass 7.000000 14.003070 - - Atom A12S 6.123898 36.485838 24.924458 - znuc, mass 16.000000 31.972070 - - Atom A13C 7.070704 33.362969 25.423332 - znuc, mass 6.000000 12.000000 - - Atom A14C 5.388284 31.308389 25.436623 - znuc, mass 6.000000 12.000000 - - Atom A15N 3.980690 29.605691 25.496432 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 11.519895 30.601049 26.217588 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 1.019605 0.491700 - duadrupole 0.200253 0.667129 -0.867382 -0.820424 2.014536 0.644902 - octupole -0.081100 0.120946 0.015291 -0.151351 -0.112179 0.258142 0.096888 -0.177042 0.030405 -0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 9.664558 33.328100 25.811752 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 -0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026087 -0.009793 - octupole 0.080562 -0.064792 0.069734 0.081135 -0.040643 -0.191017 -0.029091 0.110455 -0.016343 0.060049 - screen, screen2 0.731440 1.827189 - - Multipole point A03C 10.628855 35.832270 25.740026 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole -0.154202 0.066939 0.010607 -0.076422 -0.037680 0.126335 0.027074 0.027868 0.009483 -0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 13.891237 36.568986 26.106907 - znuc, monopole 16.000000 -15.424149 - dipole -0.645104 -0.702590 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883320 - octupole 0.376726 -0.162146 0.007751 0.064505 0.144810 -0.217808 -0.152561 -0.158918 0.097642 0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 14.723761 34.217575 28.352642 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 -0.012964 0.126299 - duadrupole -0.086713 0.172783 -0.086070 0.198246 0.015502 -0.024956 - octupole 0.056685 0.087927 0.028493 -0.015828 -0.161274 -0.009131 0.132781 -0.047554 -0.072099 -0.175924 - screen, screen2 0.959383 1.795310 - - Multipole point A06C 13.752374 31.822098 28.410388 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 -0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole 0.001075 -0.050214 0.014991 -0.047446 0.160108 -0.001747 -0.175099 0.000672 0.097660 0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 14.504037 30.072909 30.294972 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 -0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole -0.066905 0.052623 -0.037692 0.033015 -0.046038 0.056469 0.083730 0.010436 -0.085637 -0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 15.121790 28.587726 31.813824 - znuc, monopole 7.000000 -6.844356 - dipole -0.128197 0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole 0.024985 -0.019560 0.010956 -0.010338 0.013703 -0.014533 -0.024660 -0.010452 0.029898 0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 16.569415 34.974599 30.134105 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 0.134363 0.337213 - duadrupole 0.044076 -0.065352 0.021276 -0.052673 0.059479 -0.009395 - octupole 0.000862 -0.071606 -0.028175 0.027284 0.078173 -0.054551 -0.049997 0.053688 0.044323 0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 18.174503 35.585122 31.525545 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 -0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole 0.001131 0.023490 0.018307 -0.014058 -0.034435 0.020126 0.016128 -0.021257 -0.009432 -0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 9.002899 37.678914 25.344272 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 -0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109387 0.037752 - octupole 0.049872 -0.009996 -0.025010 -0.027426 0.025766 -0.018699 -0.000756 -0.031173 0.037423 -0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 6.123898 36.485838 24.924458 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 -0.461479 0.227968 - duadrupole 0.657690 1.380422 -2.038112 0.516798 0.477704 -0.276530 - octupole -0.079313 0.431186 0.101331 -0.400784 -0.037962 -0.079017 -0.063368 0.158329 -0.030402 -0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 7.070704 33.362969 25.423332 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 -0.118662 -0.023762 - duadrupole 0.102513 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole -0.066522 -0.033296 -0.033077 0.141141 0.015825 0.201472 0.017252 -0.134950 -0.107845 -0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 5.388284 31.308389 25.436623 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 -0.447126 0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole 0.082638 0.017348 -0.002354 -0.067724 0.011182 -0.121329 -0.008828 0.038691 0.050375 0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 3.980690 29.605691 25.496432 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013045 -0.009826 - octupole -0.020681 -0.004365 0.003281 0.025182 -0.001816 0.038396 -0.001465 -0.017715 -0.020817 -0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 10.592227 31.964575 26.014670 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 -0.204132 -0.059744 - duadrupole -0.127966 0.303137 -0.175171 -0.361286 0.022579 -0.002456 - octupole -0.135031 -0.064489 -0.081833 -0.097858 0.020810 0.250721 0.061022 -0.115691 0.162347 -0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 10.146707 34.580185 25.775889 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 -0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099039 -0.017363 - octupole -0.006937 0.415001 -0.020564 -0.384074 0.195901 -0.173547 -0.175337 0.180484 -0.030927 -0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 12.260046 36.200628 25.923466 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole 0.362347 0.032096 0.067519 0.068455 0.111862 -0.234599 -0.179381 -0.127747 -0.100551 0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 14.307499 35.393280 27.229774 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121104 -0.078949 0.001930 -0.434804 - octupole 0.128236 -0.066192 0.098878 -0.110011 0.100435 -0.054183 -0.199314 -0.074053 0.176203 0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 12.636135 31.211574 27.313988 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 -0.216246 -0.112894 - duadrupole 0.231616 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole 0.150222 0.184993 -0.116290 0.324246 -0.434434 0.009658 0.550724 -0.159880 -0.509238 -0.036070 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 14.238068 33.019836 28.381515 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole -0.190699 -0.292172 -0.613901 0.301575 0.166371 0.195836 0.447530 -0.005136 -0.009404 0.097493 - screen, screen2 0.215934 1.658300 - - Multipole point BO76 14.128206 30.947503 29.352680 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 0.079077 -0.047152 - duadrupole 0.177104 0.006090 -0.183194 0.206576 0.019465 0.143936 - octupole -0.090233 0.197003 0.239935 -0.184502 -0.227647 0.047722 -0.012288 0.042511 -0.012501 -0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 14.812914 29.330317 31.054398 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 -0.228151 0.227536 - duadrupole -0.226595 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole 0.091256 -0.060414 0.057038 -0.055047 0.054877 -0.044246 -0.111914 -0.047010 0.115460 0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 15.646588 34.596087 29.243374 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142767 -0.071307 -0.108122 - octupole 0.091909 0.188995 0.277331 -0.069309 0.049758 -0.131139 -0.327089 0.039230 -0.119686 0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 17.371959 35.279861 30.829825 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole 0.040090 0.095467 0.079919 -0.058683 -0.126158 0.051889 0.046239 -0.091979 -0.036784 -0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 9.815877 36.755592 25.542149 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 -0.115721 0.003434 - duadrupole 0.270647 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole 0.344269 0.046395 -0.191856 0.007750 0.171132 -0.125564 0.020724 -0.218705 -0.054145 0.058621 - screen, screen2 10.000000 6.946238 - - Multipole point BO1211 7.563399 37.082376 25.134365 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 -0.026719 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole 0.052482 0.017861 0.101437 0.090246 -0.034757 -0.166574 -0.066680 0.114093 -0.108108 0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 8.367631 33.345534 25.617542 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole -0.195067 -0.254353 -0.246051 -0.014826 -0.033884 0.213914 0.279935 -0.018847 0.269179 -0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 6.597301 34.924403 25.173895 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole 0.174029 0.208769 0.072703 -0.067761 0.017390 -0.228215 -0.090093 0.054186 -0.141008 0.037712 - screen, screen2 1.692976 10.000000 - - Multipole point BO1413 6.229494 32.335679 25.429977 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole 0.138702 0.038897 0.021776 -0.027862 0.007098 -0.125103 -0.028874 -0.013599 -0.011034 0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 4.684487 30.457040 25.466528 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 -0.265565 0.005667 - duadrupole 0.053652 0.238491 -0.292143 0.457319 -0.029902 -0.030180 - octupole -0.084793 0.000751 0.009942 0.105319 -0.003154 0.171502 -0.006789 -0.086709 -0.106070 -0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 10.236586 34.530435 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 -14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 17.741236 34.875642 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 4.078531 12.000000 6.000000 - old induced dipole 0.000000 -15.284419 -1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.966026 30.166772 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -18.954885 3.653948 - induced dipole 2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 -9.783282 5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 15.373234 29.351911 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.706712 32.811412 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.578345 36.817144 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.735392 36.654053 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.545971 32.076527 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.174413 36.140768 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.659298 34.618841 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.197300 32.317982 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.135758 30.921486 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.503232 33.323778 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.561259 34.758915 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.307017 35.280395 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.300483 33.439381 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.701586 31.294001 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.808710 33.194183 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.548470 29.083149 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.664233 35.773774 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.309838 28.133512 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.827495 37.114208 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.068875 38.327822 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.270505 36.219903 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.803931 30.334479 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.037804 35.150141 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.012401 30.573712 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.407921 35.828505 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.467909 28.904085 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.220207 30.781058 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.992881 29.984488 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.944620 37.381182 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.083565 36.460892 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.763817 36.716035 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.638444 29.676008 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 26.900854 39.647535 14.759753 - znuc, mass 16.000000 31.972070 - - Atom A02C 25.045519 36.920484 14.353917 - znuc, mass 6.000000 12.000000 - - Atom A03C 26.009817 34.416314 14.282191 - znuc, mass 6.000000 12.000000 - - Atom A04S 29.272198 33.679600 14.649073 - znuc, mass 16.000000 31.972070 - - Atom A05C 30.104721 36.031011 16.894808 - znuc, mass 6.000000 12.000000 - - Atom A06C 29.133333 38.426488 16.952554 - znuc, mass 6.000000 12.000000 - - Atom A07C 29.884995 40.175677 18.837138 - znuc, mass 6.000000 12.000000 - - Atom A08N 30.502747 41.660861 20.355990 - znuc, mass 7.000000 14.003070 - - Atom A09C 31.950375 35.273988 18.676272 - znuc, mass 6.000000 12.000000 - - Atom A10N 33.555463 34.663465 20.067712 - znuc, mass 7.000000 14.003070 - - Atom A11N 24.383862 32.569669 13.886437 - znuc, mass 7.000000 14.003070 - - Atom A12S 21.504860 33.762744 13.466623 - znuc, mass 16.000000 31.972070 - - Atom A13C 22.451664 36.885613 13.965497 - znuc, mass 6.000000 12.000000 - - Atom A14C 20.769244 38.940193 13.978787 - znuc, mass 6.000000 12.000000 - - Atom A15N 19.361648 40.642890 14.038596 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 26.900854 39.647535 14.759753 - znuc, monopole 16.000000 -15.415585 - dipole 0.031685 -1.019605 0.491700 - duadrupole 0.200252 0.667129 -0.867381 0.820424 2.014536 -0.644901 - octupole -0.081100 -0.120945 0.015291 0.151350 -0.112179 0.258142 0.096888 -0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 25.045519 36.920484 14.353917 - znuc, monopole 6.000000 -5.686439 - dipole -0.147468 0.069991 -0.013557 - duadrupole 0.211125 0.081875 -0.293000 -0.056665 0.026088 0.009793 - octupole 0.080562 0.064792 0.069734 -0.081134 -0.040643 -0.191017 -0.029091 0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 26.009817 34.416314 14.282191 - znuc, monopole 6.000000 -5.188604 - dipole -0.287821 -0.376450 -0.044654 - duadrupole -0.078438 0.263091 -0.184653 0.130204 -0.010839 0.057149 - octupole -0.154202 -0.066939 0.010607 0.076422 -0.037680 0.126335 0.027074 0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 29.272198 33.679600 14.649073 - znuc, monopole 16.000000 -15.424149 - dipole -0.645105 0.702589 0.533508 - duadrupole 1.204718 -0.439167 -0.765551 -0.204941 0.964000 1.883321 - octupole 0.376726 0.162146 0.007751 -0.064504 0.144810 -0.217808 -0.152561 -0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 30.104721 36.031011 16.894808 - znuc, monopole 6.000000 -5.640629 - dipole 0.049828 0.012964 0.126299 - duadrupole -0.086713 0.172782 -0.086070 -0.198246 0.015502 0.024956 - octupole 0.056685 -0.087927 0.028493 0.015828 -0.161274 -0.009131 0.132781 -0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 29.133333 38.426488 16.952554 - znuc, monopole 6.000000 -5.646592 - dipole 0.034572 0.011110 0.116276 - duadrupole -0.170291 0.257434 -0.087143 -0.104852 0.076555 0.011620 - octupole 0.001075 0.050214 0.014991 0.047446 0.160109 -0.001747 -0.175100 0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 29.884995 40.175677 18.837138 - znuc, monopole 6.000000 -4.634467 - dipole 0.163232 0.355849 0.376625 - duadrupole 0.022933 -0.066203 0.043270 0.029798 0.042405 0.032905 - octupole -0.066905 -0.052623 -0.037692 -0.033015 -0.046038 0.056469 0.083730 0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 30.502747 41.660861 20.355990 - znuc, monopole 7.000000 -6.844356 - dipole -0.128196 -0.266682 -0.293977 - duadrupole 0.086050 -0.042359 -0.043691 -0.077137 -0.049858 -0.186337 - octupole 0.024985 0.019560 0.010956 0.010338 0.013703 -0.014533 -0.024660 -0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 31.950375 35.273988 18.676272 - znuc, monopole 6.000000 -4.633995 - dipole 0.401189 -0.134363 0.337213 - duadrupole 0.044076 -0.065351 0.021276 0.052673 0.059479 0.009395 - octupole 0.000862 0.071606 -0.028175 -0.027284 0.078173 -0.054551 -0.049998 0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 33.555463 34.663465 20.067712 - znuc, monopole 7.000000 -6.841667 - dipole -0.310426 0.091617 -0.265732 - duadrupole -0.070948 0.091461 -0.020513 0.072876 -0.167404 0.096084 - octupole 0.001131 -0.023490 0.018307 0.014058 -0.034435 0.020126 0.016128 -0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 24.383862 32.569669 13.886437 - znuc, monopole 7.000000 -7.064539 - dipole -0.008007 0.506325 -0.003176 - duadrupole 0.542026 -0.452158 -0.089868 0.144992 0.109388 -0.037751 - octupole 0.049872 0.009996 -0.025010 0.027426 0.025766 -0.018699 -0.000756 -0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 21.504860 33.762744 13.466623 - znuc, monopole 16.000000 -15.194130 - dipole 0.941861 0.461479 0.227968 - duadrupole 0.657691 1.380421 -2.038112 -0.516799 0.477705 0.276530 - octupole -0.079313 -0.431186 0.101331 0.400784 -0.037962 -0.079016 -0.063368 0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 22.451664 36.885613 13.965497 - znuc, monopole 6.000000 -5.719035 - dipole 0.092509 0.118662 -0.023762 - duadrupole 0.102512 0.148735 -0.251247 0.127665 0.038462 0.058863 - octupole -0.066522 0.033296 -0.033078 -0.141141 0.015825 0.201472 0.017252 -0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 20.769244 38.940193 13.978787 - znuc, monopole 6.000000 -4.624143 - dipole -0.367517 0.447125 0.029070 - duadrupole -0.038324 -0.011888 0.050212 -0.017149 -0.029084 0.004836 - octupole 0.082638 -0.017348 -0.002354 0.067724 0.011182 -0.121329 -0.008828 0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 19.361648 40.642890 14.038596 - znuc, monopole 7.000000 -6.851920 - dipole 0.256429 -0.312423 -0.018119 - duadrupole -0.009794 -0.087129 0.096923 0.209786 0.013044 0.009826 - octupole -0.020681 0.004365 0.003281 -0.025182 -0.001816 0.038396 -0.001465 -0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 25.973186 38.284009 14.556835 - znuc, monopole 0.000000 -0.356916 - dipole 0.109553 0.204132 -0.059744 - duadrupole -0.127967 0.303138 -0.175171 0.361286 0.022579 0.002456 - octupole -0.135031 0.064490 -0.081833 0.097857 0.020810 0.250721 0.061023 -0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 25.527668 35.668399 14.318054 - znuc, monopole 0.000000 -0.123866 - dipole 0.135096 0.067486 0.004072 - duadrupole 0.518270 -0.149121 -0.369149 0.133532 0.099040 0.017364 - octupole -0.006938 -0.415001 -0.020563 0.384074 0.195901 -0.173546 -0.175337 0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 27.641008 34.047957 14.465632 - znuc, monopole 0.000000 -0.358848 - dipole 0.205196 -0.104126 -0.064082 - duadrupole 0.439458 -0.315813 -0.123645 -0.205636 0.025515 -0.021949 - octupole 0.362347 -0.032097 0.067519 -0.068455 0.111862 -0.234600 -0.179381 -0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 29.688460 34.855306 15.771940 - znuc, monopole 0.000000 -0.356746 - dipole 0.023721 -0.143477 -0.199345 - duadrupole -0.140991 0.019887 0.121103 0.078949 0.001930 0.434804 - octupole 0.128235 0.066191 0.098878 0.110012 0.100436 -0.054183 -0.199314 -0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 28.017094 39.037011 15.856154 - znuc, monopole 0.000000 -0.383529 - dipole -0.110502 0.216246 -0.112894 - duadrupole 0.231615 -0.257352 0.025736 -0.034025 0.310740 -0.545622 - octupole 0.150223 -0.184993 -0.116290 -0.324246 -0.434434 0.009658 0.550724 -0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 29.619027 37.228750 16.923681 - znuc, monopole 0.000000 -0.379962 - dipole -0.046960 -0.009670 -0.308462 - duadrupole -0.281472 -0.117989 0.399461 -0.102856 0.583238 0.213632 - octupole -0.190699 0.292172 -0.613901 -0.301576 0.166371 0.195835 0.447530 -0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 29.509164 39.301083 17.894846 - znuc, monopole 0.000000 -0.113790 - dipole -0.053681 -0.079077 -0.047152 - duadrupole 0.177104 0.006089 -0.183194 -0.206575 0.019465 -0.143936 - octupole -0.090233 -0.197003 0.239935 0.184502 -0.227648 0.047722 -0.012288 0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 30.193871 40.918269 19.596564 - znuc, monopole 0.000000 -1.515371 - dipole 0.088059 0.228151 0.227536 - duadrupole -0.226596 0.063980 0.162615 0.200282 0.195785 0.428331 - octupole 0.091256 0.060414 0.057038 0.055047 0.054877 -0.044246 -0.111914 -0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 31.027548 35.652500 17.785540 - znuc, monopole 0.000000 -0.139461 - dipole -0.055226 -0.003360 -0.063646 - duadrupole -0.117989 0.227615 -0.109626 0.142766 -0.071307 0.108121 - octupole 0.091909 -0.188995 0.277331 0.069309 0.049758 -0.131139 -0.327089 0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 32.752919 34.968727 19.371992 - znuc, monopole 0.000000 -1.515409 - dipole 0.241222 -0.100815 0.209112 - duadrupole 0.208275 -0.288891 0.080616 -0.152589 0.441844 -0.142774 - octupole 0.040090 -0.095467 0.079919 0.058683 -0.126158 0.051889 0.046239 -0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 25.196839 33.492991 14.084314 - znuc, monopole 0.000000 -0.573241 - dipole -0.246452 0.115721 0.003434 - duadrupole 0.270648 0.326208 -0.596855 -0.171767 0.173248 -0.037718 - octupole 0.344269 -0.046395 -0.191856 -0.007750 0.171132 -0.125564 0.020724 -0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 22.944361 33.166207 13.676530 - znuc, monopole 0.000000 -0.321812 - dipole -0.145840 0.026718 -0.010065 - duadrupole 0.221927 0.003922 -0.225849 -0.128314 0.089248 -0.007836 - octupole 0.052482 -0.017862 0.101437 -0.090246 -0.034757 -0.166575 -0.066680 0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 23.748591 36.903049 14.159707 - znuc, monopole 0.000000 -0.381477 - dipole 0.062638 -0.114049 0.023850 - duadrupole 0.071236 0.413968 -0.485205 -0.026093 0.083923 0.225116 - octupole -0.195067 0.254354 -0.246051 0.014825 -0.033884 0.213914 0.279935 -0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 21.978262 35.324179 13.716060 - znuc, monopole 0.000000 -0.445522 - dipole -0.060055 -0.227354 -0.024433 - duadrupole 0.021753 0.415169 -0.436922 0.230889 0.130921 0.156752 - octupole 0.174029 -0.208769 0.072703 0.067761 0.017390 -0.228215 -0.090093 0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 21.610454 37.912903 13.972142 - znuc, monopole 0.000000 -0.094348 - dipole -0.023833 -0.134944 -0.004158 - duadrupole -0.090198 -0.007419 0.097617 0.237041 -0.005394 0.010479 - octupole 0.138702 -0.038897 0.021776 0.027863 0.007098 -0.125103 -0.028874 -0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 20.065446 39.791541 14.008692 - znuc, monopole 0.000000 -1.529454 - dipole -0.221723 0.265565 0.005667 - duadrupole 0.053653 0.238490 -0.292143 -0.457319 -0.029902 0.030180 - octupole -0.084792 -0.000751 0.009942 -0.105320 -0.003154 0.171502 -0.006789 -0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 25.144779 33.532549 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 32.788882 34.420082 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.346903 40.081742 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 29.848865 41.344500 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.040258 35.629745 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.578260 37.930600 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.208458 33.134375 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.926931 38.172057 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.555375 34.107816 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.516717 39.327100 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.617547 35.718149 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.189670 37.054402 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.681444 36.809202 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.942220 35.489667 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.082545 38.954584 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.884192 36.924805 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.687978 34.968191 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.087672 37.437174 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.929429 41.165432 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.045193 34.474814 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.690795 42.115074 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.464528 33.787690 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.325582 32.867404 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.449837 31.920761 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.601142 39.467501 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.122196 35.372946 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.373840 40.264096 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.418764 35.098446 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.019403 40.572578 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.184995 39.914193 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.393360 39.674873 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.651467 34.028682 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.116353 33.594529 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.959306 33.431440 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.754192 40.896676 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - -Fragment XXII_exp_N2_2_L - Atom A01S 17.681260 46.033770 19.613751 - znuc, mass 16.000000 31.972070 - - Atom A02C 19.536596 43.306719 20.019587 - znuc, mass 6.000000 12.000000 - - Atom A03C 18.572298 40.802549 20.091313 - znuc, mass 6.000000 12.000000 - - Atom A04S 15.309916 40.065835 19.724431 - znuc, mass 16.000000 31.972070 - - Atom A05C 14.477393 42.417246 17.478696 - znuc, mass 6.000000 12.000000 - - Atom A06C 15.448781 44.812723 17.420950 - znuc, mass 6.000000 12.000000 - - Atom A07C 14.697119 46.561912 15.536366 - znuc, mass 6.000000 12.000000 - - Atom A08N 14.079367 48.047096 14.017514 - znuc, mass 7.000000 14.003070 - - Atom A09C 12.631739 41.660223 15.697232 - znuc, mass 6.000000 12.000000 - - Atom A10N 11.026651 41.049700 14.305792 - znuc, mass 7.000000 14.003070 - - Atom A11N 20.198253 38.955904 20.487067 - znuc, mass 7.000000 14.003070 - - Atom A12S 23.077255 40.148979 20.906881 - znuc, mass 16.000000 31.972070 - - Atom A13C 22.130451 43.271848 20.408007 - znuc, mass 6.000000 12.000000 - - Atom A14C 23.812871 45.326428 20.394717 - znuc, mass 6.000000 12.000000 - - Atom A15N 25.220466 47.029125 20.334908 - znuc, mass 7.000000 14.003070 - - Multipole point A01S 17.681260 46.033770 19.613751 - znuc, monopole 16.000000 -15.415585 - dipole -0.031685 -1.019605 -0.491700 - duadrupole 0.200252 0.667129 -0.867381 -0.820424 2.014536 0.644901 - octupole 0.081100 -0.120945 -0.015291 0.151350 0.112179 -0.258142 -0.096888 0.177042 -0.030405 0.171329 - screen, screen2 0.640706 1.708182 - - Multipole point A02C 19.536596 43.306719 20.019587 - znuc, monopole 6.000000 -5.686439 - dipole 0.147468 0.069991 0.013557 - duadrupole 0.211125 0.081875 -0.293000 0.056665 0.026088 -0.009793 - octupole -0.080562 0.064792 -0.069734 -0.081134 0.040643 0.191017 0.029091 -0.110455 0.016343 -0.060049 - screen, screen2 0.731439 1.827189 - - Multipole point A03C 18.572298 40.802549 20.091313 - znuc, monopole 6.000000 -5.188604 - dipole 0.287821 -0.376450 0.044654 - duadrupole -0.078438 0.263091 -0.184653 -0.130204 -0.010839 -0.057149 - octupole 0.154202 -0.066939 -0.010607 0.076422 0.037680 -0.126335 -0.027074 -0.027868 -0.009483 0.023249 - screen, screen2 0.781238 1.960410 - - Multipole point A04S 15.309916 40.065835 19.724431 - znuc, monopole 16.000000 -15.424149 - dipole 0.645105 0.702589 -0.533508 - duadrupole 1.204718 -0.439167 -0.765551 0.204941 0.964000 -1.883321 - octupole -0.376726 0.162146 -0.007751 -0.064504 -0.144810 0.217808 0.152561 0.158918 -0.097642 -0.117519 - screen, screen2 0.643718 1.703737 - - Multipole point A05C 14.477393 42.417246 17.478696 - znuc, monopole 6.000000 -5.640629 - dipole -0.049828 0.012964 -0.126299 - duadrupole -0.086713 0.172782 -0.086070 0.198246 0.015502 -0.024956 - octupole -0.056685 -0.087927 -0.028493 0.015828 0.161274 0.009131 -0.132781 0.047554 0.072099 0.175924 - screen, screen2 0.959384 1.795310 - - Multipole point A06C 15.448781 44.812723 17.420950 - znuc, monopole 6.000000 -5.646592 - dipole -0.034572 0.011110 -0.116276 - duadrupole -0.170291 0.257434 -0.087143 0.104852 0.076555 -0.011620 - octupole -0.001075 0.050214 -0.014991 0.047446 -0.160109 0.001747 0.175100 -0.000672 -0.097661 -0.156172 - screen, screen2 0.939303 1.797140 - - Multipole point A07C 14.697119 46.561912 15.536366 - znuc, monopole 6.000000 -4.634467 - dipole -0.163232 0.355849 -0.376625 - duadrupole 0.022933 -0.066203 0.043270 -0.029798 0.042405 -0.032905 - octupole 0.066905 -0.052623 0.037692 -0.033015 0.046038 -0.056469 -0.083730 -0.010436 0.085637 0.041143 - screen, screen2 0.913471 1.850275 - - Multipole point A08N 14.079367 48.047096 14.017514 - znuc, monopole 7.000000 -6.844356 - dipole 0.128196 -0.266682 0.293977 - duadrupole 0.086050 -0.042359 -0.043691 0.077137 -0.049858 0.186337 - octupole -0.024985 0.019560 -0.010956 0.010338 -0.013703 0.014533 0.024660 0.010452 -0.029898 -0.022225 - screen, screen2 0.937336 1.888181 - - Multipole point A09C 12.631739 41.660223 15.697232 - znuc, monopole 6.000000 -4.633995 - dipole -0.401189 -0.134363 -0.337213 - duadrupole 0.044076 -0.065351 0.021276 -0.052673 0.059479 -0.009395 - octupole -0.000862 0.071606 0.028175 -0.027284 -0.078173 0.054551 0.049998 -0.053689 -0.044323 -0.068057 - screen, screen2 0.910782 1.850347 - - Multipole point A10N 11.026651 41.049700 14.305792 - znuc, monopole 7.000000 -6.841667 - dipole 0.310426 0.091617 0.265732 - duadrupole -0.070948 0.091461 -0.020513 -0.072876 -0.167404 -0.096084 - octupole -0.001131 -0.023490 -0.018307 0.014058 0.034435 -0.020126 -0.016128 0.021257 0.009432 0.017996 - screen, screen2 0.935205 1.886888 - - Multipole point A11N 20.198253 38.955904 20.487067 - znuc, monopole 7.000000 -7.064539 - dipole 0.008007 0.506325 0.003176 - duadrupole 0.542026 -0.452158 -0.089868 -0.144992 0.109388 0.037751 - octupole -0.049872 0.009996 0.025010 0.027426 -0.025766 0.018699 0.000756 0.031173 -0.037423 0.009422 - screen, screen2 0.835106 1.797177 - - Multipole point A12S 23.077255 40.148979 20.906881 - znuc, monopole 16.000000 -15.194130 - dipole -0.941861 0.461479 -0.227968 - duadrupole 0.657691 1.380421 -2.038112 0.516799 0.477705 -0.276530 - octupole 0.079313 -0.431186 -0.101331 0.400784 0.037962 0.079016 0.063368 -0.158329 0.030402 0.038334 - screen, screen2 0.661748 1.761689 - - Multipole point A13C 22.130451 43.271848 20.408007 - znuc, monopole 6.000000 -5.719035 - dipole -0.092509 0.118662 0.023762 - duadrupole 0.102512 0.148735 -0.251247 -0.127665 0.038462 -0.058863 - octupole 0.066522 0.033296 0.033078 -0.141141 -0.015825 -0.201472 -0.017252 0.134950 0.107845 0.011973 - screen, screen2 0.708596 1.735436 - - Multipole point A14C 23.812871 45.326428 20.394717 - znuc, monopole 6.000000 -4.624143 - dipole 0.367517 0.447125 -0.029070 - duadrupole -0.038324 -0.011888 0.050212 0.017149 -0.029084 -0.004836 - octupole -0.082638 -0.017348 0.002354 0.067724 -0.011182 0.121329 0.008828 -0.038691 -0.050375 -0.007160 - screen, screen2 0.881686 1.871547 - - Multipole point A15N 25.220466 47.029125 20.334908 - znuc, monopole 7.000000 -6.851920 - dipole -0.256429 -0.312423 0.018119 - duadrupole -0.009794 -0.087129 0.096923 -0.209786 0.013044 -0.009826 - octupole 0.020681 0.004365 -0.003281 -0.025182 0.001816 -0.038396 0.001465 0.017715 0.020817 0.003001 - screen, screen2 0.928391 1.884839 - - Multipole point BO21 18.608928 44.670244 19.816669 - znuc, monopole 0.000000 -0.356916 - dipole -0.109553 0.204132 0.059744 - duadrupole -0.127967 0.303138 -0.175171 -0.361286 0.022579 -0.002456 - octupole 0.135031 0.064490 0.081833 0.097857 -0.020810 -0.250721 -0.061023 0.115690 -0.162347 0.059315 - screen, screen2 10.000000 10.000000 - - Multipole point BO32 19.054447 42.054634 20.055450 - znuc, monopole 0.000000 -0.123866 - dipole -0.135096 0.067486 -0.004072 - duadrupole 0.518270 -0.149121 -0.369149 -0.133532 0.099040 -0.017364 - octupole 0.006938 -0.415001 0.020563 0.384074 -0.195901 0.173546 0.175337 -0.180484 0.030927 0.019924 - screen, screen2 10.000000 10.000000 - - Multipole point BO43 16.941107 40.434192 19.907872 - znuc, monopole 0.000000 -0.358848 - dipole -0.205196 -0.104126 0.064082 - duadrupole 0.439458 -0.315813 -0.123645 0.205636 0.025515 0.021949 - octupole -0.362347 -0.032097 -0.067519 -0.068455 -0.111862 0.234600 0.179381 0.127747 0.100551 -0.034254 - screen, screen2 10.000000 10.000000 - - Multipole point BO54 14.893655 41.241541 18.601564 - znuc, monopole 0.000000 -0.356746 - dipole -0.023721 -0.143477 0.199345 - duadrupole -0.140991 0.019887 0.121103 -0.078949 0.001930 -0.434804 - octupole -0.128235 0.066191 -0.098878 0.110012 -0.100436 0.054183 0.199314 0.074053 -0.176203 -0.154845 - screen, screen2 10.000000 10.000000 - - Multipole point BO61 16.565021 45.423246 18.517351 - znuc, monopole 0.000000 -0.383529 - dipole 0.110502 0.216246 0.112894 - duadrupole 0.231615 -0.257352 0.025736 0.034025 0.310740 0.545622 - octupole -0.150223 -0.184993 0.116290 -0.324246 0.434434 -0.009658 -0.550724 0.159881 0.509238 0.036069 - screen, screen2 10.000000 10.000000 - - Multipole point BO65 14.963087 43.614984 17.449823 - znuc, monopole 0.000000 -0.379962 - dipole 0.046960 -0.009670 0.308462 - duadrupole -0.281472 -0.117989 0.399461 0.102856 0.583238 -0.213632 - octupole 0.190699 0.292172 0.613901 -0.301576 -0.166371 -0.195835 -0.447530 0.005136 0.009404 -0.097493 - screen, screen2 0.215933 1.658300 - - Multipole point BO76 15.072950 45.687318 16.478658 - znuc, monopole 0.000000 -0.113790 - dipole 0.053681 -0.079077 0.047152 - duadrupole 0.177104 0.006089 -0.183194 0.206575 0.019465 0.143936 - octupole 0.090233 -0.197003 -0.239935 0.184502 0.227648 -0.047722 0.012288 -0.042511 0.012501 0.186798 - screen, screen2 10.000000 10.000000 - - Multipole point BO87 14.388243 47.304504 14.776940 - znuc, monopole 0.000000 -1.515371 - dipole -0.088059 0.228151 -0.227536 - duadrupole -0.226596 0.063980 0.162615 -0.200282 0.195785 -0.428331 - octupole -0.091256 0.060414 -0.057038 0.055047 -0.054877 0.044246 0.111914 0.047010 -0.115460 -0.079857 - screen, screen2 0.567029 1.577915 - - Multipole point BO95 13.554566 42.038734 16.587964 - znuc, monopole 0.000000 -0.139461 - dipole 0.055226 -0.003360 0.063646 - duadrupole -0.117989 0.227615 -0.109626 -0.142766 -0.071307 -0.108121 - octupole -0.091909 -0.188995 -0.277331 0.069309 -0.049758 0.131139 0.327089 -0.039230 0.119686 -0.053147 - screen, screen2 10.000000 10.000000 - - Multipole point BO109 11.829195 41.354962 15.001512 - znuc, monopole 0.000000 -1.515409 - dipole -0.241222 -0.100815 -0.209112 - duadrupole 0.208275 -0.288891 0.080616 0.152589 0.441844 0.142774 - octupole -0.040090 -0.095467 -0.079919 0.058683 0.126158 -0.051889 -0.046239 0.091979 0.036784 0.083877 - screen, screen2 0.569386 1.584627 - - Multipole point BO113 19.385275 39.879226 20.289190 - znuc, monopole 0.000000 -0.573241 - dipole 0.246452 0.115721 -0.003434 - duadrupole 0.270648 0.326208 -0.596855 0.171767 0.173248 0.037718 - octupole -0.344269 -0.046395 0.191856 -0.007750 -0.171132 0.125564 -0.020724 0.218705 0.054145 -0.058621 - screen, screen2 10.000000 6.946289 - - Multipole point BO1211 21.637754 39.552442 20.696974 - znuc, monopole 0.000000 -0.321812 - dipole 0.145840 0.026718 0.010065 - duadrupole 0.221927 0.003922 -0.225849 0.128314 0.089248 0.007836 - octupole -0.052482 -0.017862 -0.101437 -0.090246 0.034757 0.166575 0.066680 -0.114093 0.108108 -0.077670 - screen, screen2 10.000000 10.000000 - - Multipole point BO132 20.833523 43.289284 20.213797 - znuc, monopole 0.000000 -0.381477 - dipole -0.062638 -0.114049 -0.023850 - duadrupole 0.071236 0.413968 -0.485205 0.026093 0.083923 -0.225116 - octupole 0.195067 0.254354 0.246051 0.014825 0.033884 -0.213914 -0.279935 0.018847 -0.269179 0.111318 - screen, screen2 10.000000 1.548330 - - Multipole point BO1312 22.603853 41.710414 20.657444 - znuc, monopole 0.000000 -0.445522 - dipole 0.060055 -0.227354 0.024433 - duadrupole 0.021753 0.415169 -0.436922 -0.230889 0.130921 -0.156752 - octupole -0.174029 -0.208769 -0.072703 0.067761 -0.017390 0.228215 0.090093 -0.054186 0.141008 -0.037712 - screen, screen2 1.692955 10.000000 - - Multipole point BO1413 22.971661 44.299138 20.401362 - znuc, monopole 0.000000 -0.094348 - dipole 0.023833 -0.134944 0.004158 - duadrupole -0.090198 -0.007419 0.097617 -0.237041 -0.005394 -0.010479 - octupole -0.138702 -0.038897 -0.021776 0.027863 -0.007098 0.125103 0.028874 0.013599 0.011034 -0.025734 - screen, screen2 10.000000 10.000000 - - Multipole point BO1514 24.516668 46.177776 20.364812 - znuc, monopole 0.000000 -1.529454 - dipole 0.221723 0.265565 -0.005667 - duadrupole 0.053653 0.238490 -0.292143 0.457319 -0.029902 -0.030180 - octupole 0.084792 -0.000751 -0.009942 -0.105320 0.003154 -0.171502 0.006789 0.086709 0.106070 0.007951 - screen, screen2 0.574522 1.575481 - - Polarizability point coords 19.437335 39.918783 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole -8.632814 12.000000 6.000000 - old conjugated induced dipole 0.000000 14.671619 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 11.793233 40.806317 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 12.000000 6.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole -4.078531 12.000000 6.000000 - old induced dipole 0.000000 15.284419 1.858266 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.235211 46.467977 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 18.954885 -3.653948 - induced dipole -2.847959 14.003070 7.000000 - conjugated induced dipole 0.000000 9.783282 -5.747740 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole -9.029232 14.003070 -231584178474632390847141970017375815706539969331281128078915168015826259279872.000000 - - Polarizability point coords 14.733249 47.730735 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.541856 42.015980 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.003855 44.316835 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.373657 39.520610 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.655183 44.558292 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.026740 40.494051 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.065398 45.713335 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.964567 42.104384 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.392445 43.440637 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.900671 43.195437 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.639895 41.875902 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.499570 45.340819 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.697922 43.311040 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.894137 41.354426 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.494442 43.823409 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.652686 47.551667 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.536921 40.861049 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.891319 48.501309 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.117587 40.173925 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.256533 39.253639 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.132277 38.306996 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.980972 45.853736 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.459918 41.759181 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.208275 46.650331 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.163350 41.484681 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.562712 46.958813 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.397119 46.300428 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.188755 46.061107 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.930648 40.414917 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.465761 39.980764 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.622808 39.817675 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.827923 47.282911 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000000 0.000000 0.000000 - conjugated induced dipole 0.000000 0.000000 0.000000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - - IND DIPOLES NORM: 0.022844 - IND DIPOLES NORM: 0.004631 - IND DIPOLES NORM: 0.001148 - IND DIPOLES NORM: 0.000319 - IND DIPOLES NORM: 0.000090 - IND DIPOLES NORM: 0.000033 - IND DIPOLES NORM: 0.000010 - IND DIPOLES NORM: 0.000004 - IND DIPOLES NORM: 0.000001 - IND DIPOLES NORM: 0.000000 - IND DIPOLES NORM: 0.000000 - IND DIPOLES NORM: 0.000000 - IND DIPOLES NORM: 0.000000 - IND DIPOLES NORM: 0.000000 - IND DIPOLES NORM: 0.000000 - IND DIPOLES NORM: 0.000000 - IND DIPOLES NORM: 0.000000 - IND DIPOLES NORM: 0.000000 -Fragment 0 - Polarizability point coords -11.016969 2.599261 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field -0.000707 -0.002083 0.004937 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole -0.000502 -0.006235 0.000930 - old conjugated induced dipole 0.002419 -0.004872 0.001639 - - Polarizability point coords -18.521619 2.944467 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000636 0.001450 0.002707 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.017774 -0.011888 0.014683 - old conjugated induced dipole 0.014358 -0.005896 0.013284 - - Polarizability point coords -5.746409 -1.764403 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field -0.005845 0.004147 0.001820 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole -0.063346 0.043899 0.005721 - old conjugated induced dipole -0.055842 0.056799 0.006258 - - Polarizability point coords -16.153618 -2.579263 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field -0.000242 0.002270 0.001640 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.003843 0.029042 0.022595 - old conjugated induced dipole 0.008031 0.026943 0.024571 - - Polarizability point coords -15.487096 0.880237 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.001508 0.000341 0.002188 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.013189 -0.004500 0.010285 - old conjugated induced dipole 0.010329 -0.004071 0.012280 - - Polarizability point coords -10.358728 4.885969 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000486 -0.002308 0.002026 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole -0.002879 -0.021657 -0.001455 - old conjugated induced dipole 0.001239 -0.015466 0.003342 - - Polarizability point coords -6.515775 4.722878 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000536 0.002973 -0.001170 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.024576 0.025280 -0.002707 - old conjugated induced dipole 0.021953 0.024514 -0.010846 - - Polarizability point coords -11.326355 0.145353 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000657 -0.000938 0.005512 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.004785 -0.002957 0.007603 - old conjugated induced dipole 0.011858 0.007327 0.008705 - - Polarizability point coords -12.954796 4.209593 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.001435 -0.003757 0.003998 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.026692 -0.007223 0.008401 - old conjugated induced dipole 0.024722 -0.010399 0.005993 - - Polarizability point coords -16.439681 2.687667 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000908 0.000560 0.001450 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.008021 -0.001430 0.006467 - old conjugated induced dipole 0.006680 -0.000245 0.007225 - - Polarizability point coords -6.977683 0.386808 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field -0.004368 -0.000546 0.002087 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole -0.009459 0.003713 0.000482 - old conjugated induced dipole -0.009703 0.006827 0.001297 - - Polarizability point coords -14.916141 -1.009688 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.001286 0.001070 0.002191 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.007350 0.008201 0.009724 - old conjugated induced dipole 0.006616 0.006977 0.011000 - - Polarizability point coords -9.283615 1.392603 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field -0.003441 -0.002380 0.004383 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole -0.032580 -0.005385 0.002398 - old conjugated induced dipole -0.029267 -0.003579 0.004952 - - Polarizability point coords -7.341642 2.827740 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field -0.002486 -0.000564 -0.000314 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole -0.009130 -0.008630 -0.003112 - old conjugated induced dipole -0.008989 -0.006449 -0.002117 - - Polarizability point coords -15.087400 3.349220 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.001284 -0.001360 0.001865 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.007992 0.001162 0.007068 - old conjugated induced dipole 0.007504 0.002361 0.008889 - - Polarizability point coords -9.080867 1.508206 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field -0.002041 -0.001230 0.003268 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole -0.021085 -0.001460 0.001599 - old conjugated induced dipole -0.016161 -0.000422 0.004574 - - Polarizability point coords -13.481969 -0.637174 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.002143 0.000489 0.003387 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.033173 -0.007600 0.027393 - old conjugated induced dipole 0.028333 -0.007801 0.030425 - - Polarizability point coords -14.589093 1.263009 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.001272 0.000178 0.002191 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.013634 -0.005736 0.010955 - old conjugated induced dipole 0.012784 -0.003818 0.011435 - - Polarizability point coords -4.328854 -2.848026 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field -0.001547 0.005895 -0.000772 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole -0.008720 0.015807 -0.002368 - old conjugated induced dipole -0.007606 0.016649 -0.001351 - - Polarizability point coords -19.444616 3.842599 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field -0.000198 0.003417 0.004966 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.001749 0.004775 0.016411 - old conjugated induced dipole -0.000061 0.005522 0.015883 - - Polarizability point coords -16.090221 -3.797662 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field -0.001729 0.004592 0.003383 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000865 0.016467 0.014862 - old conjugated induced dipole 0.000106 0.015979 0.015390 - - Polarizability point coords -8.607879 5.183033 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000107 -0.000237 -0.000261 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.004462 -0.001746 0.000735 - old conjugated induced dipole 0.002994 -0.001829 0.000320 - - Polarizability point coords -9.849258 6.396648 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.001901 -0.002245 0.000818 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.006347 -0.016593 0.000811 - old conjugated induced dipole 0.007353 -0.013869 0.001598 - - Polarizability point coords -15.050888 4.288729 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.002293 -0.003677 0.003470 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.016570 -0.009874 0.021011 - old conjugated induced dipole 0.018333 -0.019255 0.008873 - - Polarizability point coords -5.584314 -1.596696 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field -0.004060 0.003580 0.000890 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole -0.046958 0.039179 -0.007441 - old conjugated induced dipole -0.039937 0.045846 0.002781 - - Polarizability point coords -17.818187 3.218967 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000950 0.002180 0.003856 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.028024 -0.017077 0.022943 - old conjugated induced dipole 0.015224 -0.006010 0.022514 - - Polarizability point coords -12.792784 -1.357463 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.004268 0.000857 0.004513 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.068050 -0.015625 0.045166 - old conjugated induced dipole 0.061942 0.008873 0.047522 - - Polarizability point coords -18.188304 3.897331 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000947 0.002830 0.001995 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.011763 0.007583 0.014002 - old conjugated induced dipole 0.015109 0.002583 0.017046 - - Polarizability point coords -15.248292 -3.027089 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000394 0.003107 0.002306 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.017229 0.015360 0.023246 - old conjugated induced dipole 0.008731 0.020510 0.020878 - - Polarizability point coords -5.000590 -1.150117 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field -0.003842 0.002906 0.000499 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole -0.020830 0.022726 -0.000901 - old conjugated induced dipole -0.022286 0.021511 0.000192 - - Polarizability point coords -11.773264 -1.946686 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.003305 -0.001466 0.005326 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.031823 -0.013065 0.031206 - old conjugated induced dipole 0.032768 -0.007049 0.032022 - - Polarizability point coords -14.725003 5.450007 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000812 -0.005388 0.001435 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.010155 -0.041713 0.001546 - old conjugated induced dipole 0.005860 -0.039807 0.004393 - - Polarizability point coords -6.863948 4.529718 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field -0.001008 0.001477 -0.004623 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole -0.025817 -0.011418 -0.033335 - old conjugated induced dipole -0.014981 -0.002807 -0.031806 - - Polarizability point coords -10.544201 4.784860 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field -0.000766 -0.003524 0.002810 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole -0.012761 -0.031001 0.001118 - old conjugated induced dipole -0.007779 -0.029252 0.000281 - - Polarizability point coords -15.418827 -2.255167 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000204 0.002371 0.001742 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.009280 0.038168 0.020381 - old conjugated induced dipole 0.010164 0.031452 0.028358 - -Fragment 1 - Polarizability point coords -4.363992 -3.786974 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000034 -0.000048 0.000063 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.140658 -3.441768 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000043 -0.000021 0.000004 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.634552 -8.150638 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000024 -0.000004 -0.000019 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.772657 -8.965498 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000030 0.000030 0.000002 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.106135 -5.505998 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000055 0.000013 0.000053 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.022233 -1.500266 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000077 -0.000110 0.000002 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.865186 -1.663357 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000061 -0.000130 -0.000100 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.054606 -6.240882 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000013 0.000003 0.000055 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.426164 -2.176641 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000014 -0.000066 0.000054 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.058720 -3.698568 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000079 -0.000022 0.000040 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.403278 -5.999427 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000002 -0.000037 -0.000012 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.464819 -7.395923 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000049 0.000049 0.000033 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.097346 -4.993632 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000024 -0.000037 0.000019 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.039319 -3.558495 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000025 -0.000086 -0.000031 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.293561 -3.037015 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000042 -0.000041 0.000066 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.300094 -4.878029 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000048 -0.000043 0.000038 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.898992 -7.023409 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000021 0.000033 0.000057 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.791868 -5.123226 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000093 0.000034 0.000094 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.052107 -9.234261 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000030 0.000012 -0.000029 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.063655 -2.543636 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000026 -0.000025 -0.000005 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.709261 -10.183897 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000018 0.000024 -0.000007 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.773082 -1.203202 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000058 -0.000089 -0.000063 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.531703 0.010413 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000064 -0.000072 -0.000067 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.330072 -2.097506 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000038 0.000026 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.796647 -7.982931 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000015 -0.000010 -0.000027 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.437226 -3.167268 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000059 -0.000029 0.000000 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.588177 -7.743698 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 0.000009 0.000030 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.807343 -2.488904 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000043 -0.000034 0.000004 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.132669 -9.413324 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000025 0.000037 0.000003 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.380371 -7.536352 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000039 -0.000007 -0.000034 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.607697 -8.332921 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 0.000023 0.000033 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.655958 -0.936228 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 -0.000067 0.000028 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.517013 -1.856517 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000020 -0.000083 -0.000074 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.836760 -1.601375 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000047 -0.000074 -0.000007 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.037866 -8.641402 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000036 0.000043 -0.000002 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 2 - Polarizability point coords 10.544201 -4.784860 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000766 0.003524 -0.002810 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000036 -0.000062 -0.000011 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.012761 0.031001 -0.001118 - old conjugated induced dipole 0.007779 0.029252 -0.000281 - - Polarizability point coords 18.188304 -3.897331 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field -0.000947 -0.002830 -0.001995 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000014 -0.000049 -0.000018 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole -0.011763 -0.007583 -0.014002 - old conjugated induced dipole -0.015109 -0.002583 -0.017046 - - Polarizability point coords 5.746327 1.764335 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.005845 -0.004147 -0.001820 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000098 -0.000082 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.063351 -0.043904 -0.005722 - old conjugated induced dipole 0.055846 -0.056805 -0.006259 - - Polarizability point coords 15.248291 3.027089 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field -0.000394 -0.003107 -0.002306 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000029 -0.000064 -0.000047 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole -0.017229 -0.015360 -0.023246 - old conjugated induced dipole -0.008731 -0.020509 -0.020878 - - Polarizability point coords 16.439681 -2.687667 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field -0.000908 -0.000560 -0.001450 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000011 -0.000056 -0.000021 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole -0.008021 0.001430 -0.006467 - old conjugated induced dipole -0.006680 0.000245 -0.007225 - - Polarizability point coords 6.977683 -0.386808 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.004368 0.000546 -0.002087 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000016 -0.000099 -0.000052 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.009459 -0.003713 -0.000482 - old conjugated induced dipole 0.009703 -0.006827 -0.001297 - - Polarizability point coords 8.607879 -5.183033 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field -0.000107 0.000237 0.000261 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000046 -0.000072 -0.000006 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole -0.004462 0.001746 -0.000735 - old conjugated induced dipole -0.002995 0.001829 -0.000320 - - Polarizability point coords 11.326355 -0.145353 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field -0.000657 0.000938 -0.005512 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 -0.000072 -0.000039 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole -0.004785 0.002957 -0.007603 - old conjugated induced dipole -0.011858 -0.007327 -0.008705 - - Polarizability point coords 12.954796 -4.209593 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field -0.001435 0.003757 -0.003998 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000027 -0.000057 -0.000015 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole -0.026692 0.007223 -0.008401 - old conjugated induced dipole -0.024722 0.010399 -0.005993 - - Polarizability point coords 14.916141 1.009688 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field -0.001286 -0.001070 -0.002191 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000011 -0.000065 -0.000039 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole -0.007350 -0.008201 -0.009724 - old conjugated induced dipole -0.006616 -0.006977 -0.011000 - - Polarizability point coords 11.016969 -2.599261 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000707 0.002083 -0.004937 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000023 -0.000071 -0.000023 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000502 0.006235 -0.000930 - old conjugated induced dipole -0.002419 0.004872 -0.001639 - - Polarizability point coords 14.589093 -1.263009 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field -0.001272 -0.000178 -0.002191 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 -0.000066 -0.000028 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003818 -0.011435 - old induced dipole -0.013634 0.005736 -0.010955 - old conjugated induced dipole -0.012784 0.003818 -0.011435 - - Polarizability point coords 9.080866 -1.508206 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.002041 0.001230 -0.003268 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000019 -0.000090 -0.000035 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.021085 0.001460 -0.001599 - old conjugated induced dipole 0.016161 0.000422 -0.004574 - - Polarizability point coords 7.341642 -2.827740 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.002486 0.000564 0.000314 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000035 -0.000091 -0.000025 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.009130 0.008630 0.003112 - old conjugated induced dipole 0.008989 0.006449 0.002117 - - Polarizability point coords 13.481969 0.637174 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field -0.002143 -0.000489 -0.003387 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000066 -0.000039 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole -0.033173 0.007600 -0.027393 - old conjugated induced dipole -0.028333 0.007801 -0.030425 - - Polarizability point coords 9.283615 -1.392603 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.003441 0.002380 -0.004383 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000020 -0.000079 -0.000034 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.032580 0.005385 -0.002398 - old conjugated induced dipole 0.029267 0.003579 -0.004952 - - Polarizability point coords 15.087400 -3.349220 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field -0.001284 0.001360 -0.001865 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000018 -0.000055 -0.000019 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole -0.007992 -0.001162 -0.007068 - old conjugated induced dipole -0.007504 -0.002361 -0.008889 - - Polarizability point coords 15.487096 -0.880237 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field -0.001508 -0.000341 -0.002188 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000058 -0.000028 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole -0.013189 0.004500 -0.010285 - old conjugated induced dipole -0.010329 0.004071 -0.012280 - - Polarizability point coords 4.328854 2.848026 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.001547 -0.005895 0.000772 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 -0.000106 -0.000114 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.008720 -0.015807 0.002368 - old conjugated induced dipole 0.007606 -0.016649 0.001351 - - Polarizability point coords 19.444616 -3.842599 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000198 -0.003417 -0.004966 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000010 -0.000046 -0.000018 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole -0.001749 -0.004775 -0.016411 - old conjugated induced dipole 0.000061 -0.005522 -0.015883 - - Polarizability point coords 16.090221 3.797662 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.001729 -0.004592 -0.003383 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000037 -0.000060 -0.000047 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole -0.000865 -0.016467 -0.014861 - old conjugated induced dipole -0.000106 -0.015979 -0.015390 - - Polarizability point coords 6.863949 -4.529717 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.001008 -0.001477 0.004623 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000049 -0.000077 -0.000010 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.025817 0.011418 0.033335 - old conjugated induced dipole 0.014981 0.002807 0.031806 - - Polarizability point coords 14.725003 -5.450007 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field -0.000812 0.005388 -0.001435 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000028 -0.000048 -0.000011 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole -0.010155 0.041713 -0.001546 - old conjugated induced dipole -0.005860 0.039807 -0.004393 - - Polarizability point coords 9.849258 -6.396648 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field -0.001901 0.002245 -0.000818 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000047 -0.000059 -0.000001 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole -0.006347 0.016593 -0.000811 - old conjugated induced dipole -0.007353 0.013869 -0.001598 - - Polarizability point coords 5.000566 1.150095 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.003842 -0.002906 -0.000499 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000009 -0.000111 -0.000084 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.020829 -0.022725 0.000901 - old conjugated induced dipole 0.022286 -0.021510 -0.000193 - - Polarizability point coords 18.521619 -2.944467 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field -0.000636 -0.001450 -0.002707 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000008 -0.000049 -0.000020 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole -0.017774 0.011888 -0.014683 - old conjugated induced dipole -0.014358 0.005896 -0.013284 - - Polarizability point coords 11.773264 1.946686 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field -0.003305 0.001466 -0.005326 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000010 -0.000069 -0.000051 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole -0.031823 0.013065 -0.031206 - old conjugated induced dipole -0.032768 0.007049 -0.032022 - - Polarizability point coords 17.818187 -3.218967 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field -0.000950 -0.002180 -0.003856 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000011 -0.000054 -0.000020 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole -0.028024 0.017077 -0.022943 - old conjugated induced dipole -0.015224 0.006010 -0.022514 - - Polarizability point coords 15.418828 2.255166 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field -0.000204 -0.002371 -0.001742 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000026 -0.000068 -0.000044 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole -0.009280 -0.038168 -0.020381 - old conjugated induced dipole -0.010164 -0.031452 -0.028358 - - Polarizability point coords 5.584419 1.596786 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.004061 -0.003580 -0.000890 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000112 -0.000089 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.046956 -0.039177 0.007441 - old conjugated induced dipole 0.039935 -0.045844 -0.002781 - - Polarizability point coords 12.792784 1.357463 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field -0.004268 -0.000857 -0.004513 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000001 -0.000059 -0.000041 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole -0.068050 0.015625 -0.045166 - old conjugated induced dipole -0.061942 -0.008873 -0.047523 - - Polarizability point coords 15.050888 -4.288728 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field -0.002293 0.003677 -0.003470 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000022 -0.000046 -0.000015 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole -0.016570 0.009874 -0.021011 - old conjugated induced dipole -0.018333 0.019256 -0.008873 - - Polarizability point coords 6.515774 -4.722878 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field -0.000536 -0.002973 0.001170 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000053 -0.000091 -0.000006 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole -0.024576 -0.025280 0.002707 - old conjugated induced dipole -0.021953 -0.024514 0.010846 - - Polarizability point coords 10.358728 -4.885969 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field -0.000486 0.002308 -0.002026 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000039 -0.000069 -0.000009 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.002879 0.021657 0.001455 - old conjugated induced dipole -0.001239 0.015466 -0.003342 - - Polarizability point coords 16.153617 2.579264 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000242 -0.002270 -0.001640 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000024 -0.000060 -0.000042 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole -0.003843 -0.029042 -0.022595 - old conjugated induced dipole -0.008031 -0.026943 -0.024571 - -Fragment 3 - Polarizability point coords 4.836760 1.601375 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000007 -0.000004 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.807344 2.488904 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000005 -0.000008 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.634633 8.150570 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000001 -0.000003 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.132670 9.413324 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000006 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.058720 3.698568 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000001 -0.000004 -0.000009 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.403278 5.999427 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000002 -0.000004 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.773082 1.203202 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000002 -0.000006 -0.000002 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.054606 6.240882 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 -0.000003 -0.000007 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.426164 2.176641 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 -0.000008 -0.000006 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.464819 7.395923 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000001 -0.000001 -0.000008 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.363992 3.786974 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 -0.000005 -0.000006 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.791868 5.123226 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000002 -0.000003 -0.000008 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.300094 4.878029 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000003 -0.000005 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.039319 3.558495 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000004 -0.000003 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.898992 7.023409 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000002 -0.000008 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.097346 4.993632 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 -0.000004 -0.000005 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.293561 3.037015 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000006 -0.000009 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.106135 5.505998 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000003 -0.000010 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.052107 9.234261 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000002 -0.000001 -0.000003 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.063655 2.543636 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000005 -0.000006 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.709261 10.183897 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000001 -0.000000 -0.000005 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.517012 1.856518 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000002 -0.000005 -0.000002 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.655958 0.936228 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000009 -0.000007 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.531703 -0.010413 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000001 -0.000007 -0.000002 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.380395 7.536330 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000002 -0.000003 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.140658 3.441768 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000004 -0.000008 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.607697 8.332921 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 -0.000001 -0.000007 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.437226 3.167268 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000004 -0.000007 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.037867 8.641401 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000001 -0.000006 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.796542 7.983021 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000001 -0.000003 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.588177 7.743698 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000005 -0.000001 -0.000009 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.330072 2.097506 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000007 -0.000010 -0.000010 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.865186 1.663357 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000001 -0.000004 -0.000002 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.022233 1.500266 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000002 -0.000006 -0.000003 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.772656 8.965499 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000001 -0.000007 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 4 - Polarizability point coords -19.097640 2.599261 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.602290 2.944467 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.827080 -1.764403 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.234289 -2.579263 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.567767 0.880237 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.439399 4.885969 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.596446 4.722878 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.407026 0.145353 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.035468 4.209593 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.520352 2.687667 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.058354 0.386808 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.996813 -1.009688 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.364286 1.392603 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.422313 2.827740 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.168071 3.349220 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.161538 1.508206 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.562640 -0.637174 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.669764 1.263009 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.409525 -2.848026 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -27.525287 3.842599 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.170893 -3.797662 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.688550 5.183033 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.929929 6.396648 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.131560 4.288729 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.664985 -1.596696 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -25.898858 3.218967 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -20.873455 -1.357463 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.268976 3.897331 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.328963 -3.027089 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.081261 -1.150117 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.853935 -1.946686 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.805674 5.450007 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.944619 4.529718 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.624872 4.784860 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.499498 -2.255167 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 5 - Polarizability point coords -12.444663 -3.786974 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000049 -0.000033 0.000003 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.940013 -3.441768 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000028 -0.000038 -0.000013 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.715223 -8.150638 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000064 -0.000017 0.000037 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.308014 -8.965498 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000046 -0.000029 0.000006 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.974536 -5.505998 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000039 -0.000032 -0.000002 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.102904 -1.500266 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000050 -0.000038 -0.000004 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.945857 -1.663357 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000065 -0.000040 0.000010 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.135277 -6.240882 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000050 -0.000028 0.000010 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.506836 -2.176641 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000041 -0.000034 -0.000006 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.021951 -3.698568 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000035 -0.000038 -0.000010 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.483949 -5.999427 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000063 -0.000027 0.000025 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.545491 -7.395923 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000046 -0.000031 0.000004 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.178017 -4.993632 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000054 -0.000029 0.000013 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.119990 -3.558495 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000061 -0.000034 0.000015 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.374232 -3.037015 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000036 -0.000034 -0.000008 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.380765 -4.878029 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000058 -0.000033 0.000012 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.979663 -7.023409 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000046 -0.000028 0.000006 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.872539 -5.123226 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000043 -0.000036 -0.000003 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.132779 -9.234261 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000069 -0.000011 0.000047 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.017016 -2.543636 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000024 -0.000041 -0.000018 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.371411 -10.183897 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000050 -0.000027 0.000009 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.853753 -1.203202 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000054 -0.000037 0.000002 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.612374 0.010413 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000048 -0.000038 -0.000006 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.410744 -2.097506 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000034 -0.000030 -0.000007 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.877318 -7.982931 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000070 -0.000019 0.000038 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.643445 -3.167268 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000030 -0.000043 -0.000015 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.668848 -7.743698 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000044 -0.000022 0.000011 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.273328 -2.488904 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000027 -0.000040 -0.000017 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.213340 -9.413324 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000049 -0.000028 0.000009 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.461042 -7.536352 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000068 -0.000019 0.000040 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.688368 -8.332921 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000051 -0.000023 0.000014 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.736629 -0.936228 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000034 -0.000034 -0.000013 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.597684 -1.856517 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000057 -0.000034 0.000013 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.917431 -1.601375 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000047 -0.000034 -0.000001 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.042805 -8.641402 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000049 -0.000033 0.000006 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 6 - Polarizability point coords 2.463531 -4.784861 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.107633 -3.897328 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.334346 1.764332 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.167617 3.027091 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.359009 -2.687665 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.102989 -0.386810 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.527209 -5.183035 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.245682 -0.145353 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.874126 -4.209593 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.835468 1.009690 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.936298 -2.599261 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.508421 -1.263007 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003817 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.000195 -1.508207 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.739029 -2.827742 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.401296 0.637175 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.202943 -1.392605 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.006729 -3.349219 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.406423 -0.880236 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.751820 2.848022 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.363944 -3.842595 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.009546 3.797665 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.216721 -4.529720 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.644333 -5.450006 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.768589 -6.396649 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.080107 1.150091 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.440947 -2.944464 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.692591 1.946686 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.737515 -3.218964 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.338154 2.255168 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.496254 1.596783 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.712111 1.357463 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.970218 -4.288727 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.564896 -4.722881 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.278058 -4.885970 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.072943 2.579266 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 7 - Polarizability point coords -3.243914 1.601374 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000468 -0.000326 0.000669 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.888016 2.488907 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000788 0.000385 0.004234 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.553962 8.150567 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000341 0.000086 0.000352 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.948000 9.413326 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000803 0.001443 0.000523 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.139393 3.698570 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000055 0.000795 0.002604 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.322606 5.999425 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000433 0.000005 0.000485 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.307592 1.203200 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000479 -0.000377 0.000450 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.026065 6.240882 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000358 0.000227 0.000897 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.654509 2.176642 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000446 -0.000239 0.001138 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.615851 7.395925 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000157 0.001141 0.001241 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.716681 3.786974 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000480 -0.000080 0.000931 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.288804 5.123228 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000210 0.000787 0.001796 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003817 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.780578 4.878028 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000539 -0.000023 0.000773 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.041354 3.558492 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000460 -0.000180 0.000472 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.181679 7.023410 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000172 0.000579 0.001111 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.983327 4.993630 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000420 -0.000013 0.000656 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.787112 3.037016 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000258 0.000092 0.001743 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.186806 5.505999 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000064 0.000730 0.001523 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.971437 9.234257 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000319 0.000096 0.000272 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.144327 2.543640 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.002468 -0.000118 0.005909 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.789929 10.183899 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001548 0.001078 -0.000830 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.436338 1.856515 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000361 -0.000244 0.000310 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.424716 0.936229 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000380 -0.000421 0.001429 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.548972 -0.010414 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000498 -0.000491 0.000458 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.299723 7.536326 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000363 0.000044 0.000329 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.221331 3.441771 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000748 0.001066 0.003925 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.472974 8.332921 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000245 0.000455 0.000809 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.517899 3.167271 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000497 0.001291 0.005160 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.118537 8.641403 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001408 0.001887 0.000627 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.715871 7.983018 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000402 0.000094 0.000379 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.492494 7.743698 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000173 0.000347 0.000751 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.750601 2.097508 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000212 -0.000152 0.001146 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.784513 1.663354 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000460 -0.000345 0.000316 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.058441 1.500265 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000598 -0.000432 0.000767 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.853326 8.965501 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000855 0.001484 0.000105 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 8 - Polarizability point coords -11.016969 15.371730 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000199 -0.000045 -0.000228 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.521619 15.716937 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000289 -0.000188 -0.000391 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.746409 11.008067 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001254 0.003452 -0.000634 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.153618 10.193207 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001279 0.000237 -0.001147 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.487096 13.652707 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000114 0.000170 -0.000468 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.358728 17.658439 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000190 0.000143 -0.000168 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.515775 17.495348 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000191 0.000352 -0.000143 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.326355 12.917822 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000102 -0.000943 -0.000202 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.954796 16.982063 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000127 0.000111 -0.000218 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.439681 15.460137 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000253 0.000013 -0.000379 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.977683 13.159277 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001085 0.000695 -0.000337 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.916141 11.762781 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000190 0.000207 -0.000411 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.283615 14.165073 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000575 -0.000148 -0.000308 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.341642 15.600210 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000395 0.000375 -0.000194 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.087400 16.121690 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000142 0.000113 -0.000297 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.080867 14.280676 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000587 -0.000107 -0.000193 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.481969 12.135296 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000505 -0.000165 -0.000232 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.589093 14.035478 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000153 0.000072 -0.000331 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.328854 9.924444 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.001225 0.004294 -0.001188 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.444616 16.615069 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000231 -0.000263 -0.000288 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.090221 8.974808 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.002878 -0.000193 -0.001711 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.607879 17.955503 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000194 0.000234 -0.000146 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.849258 19.169118 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000148 0.000185 -0.000135 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.050888 17.061198 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000118 0.000176 -0.000244 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.584314 11.175774 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001081 0.002759 -0.000908 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.818187 15.991437 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000294 -0.000183 -0.000339 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.792784 11.415007 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.001815 -0.000645 -0.000730 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.188304 16.669800 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000248 -0.000133 -0.000320 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.248292 9.745380 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001145 0.000900 -0.000781 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.000590 11.622353 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000463 0.002448 -0.000518 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.773264 10.825784 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.002098 -0.002687 0.000818 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.725003 18.222477 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000141 0.000113 -0.000210 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.863948 17.302188 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000195 0.000371 -0.000122 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.544201 17.557330 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000177 0.000158 -0.000174 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.418827 10.517303 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001162 0.000283 -0.000803 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 9 - Polarizability point coords -4.363992 8.985495 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 0.000027 -0.000028 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.140658 9.330702 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000023 0.000009 -0.000007 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.634552 4.621832 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000040 0.000072 -0.000114 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.772657 3.806972 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000079 -0.000025 -0.000022 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.106135 7.266472 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000034 0.000014 -0.000028 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.022233 11.272204 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 0.000023 -0.000017 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.865186 11.109113 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000015 0.000020 -0.000001 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.054606 6.531587 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000020 0.000028 -0.000044 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.426164 10.595828 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000007 0.000019 -0.000020 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.058720 9.073902 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000027 0.000016 -0.000016 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.403278 6.773043 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000008 0.000070 -0.000041 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.464819 5.376546 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000070 0.000012 -0.000045 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.097346 7.778838 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 0.000035 -0.000032 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.039319 9.213975 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000010 0.000036 -0.000013 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.293561 9.735455 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000018 0.000017 -0.000020 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.300094 7.894441 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 0.000046 -0.000031 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.898992 5.749061 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000041 0.000019 -0.000050 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.791868 7.649243 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000038 0.000025 -0.000033 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.052107 3.538209 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000073 0.000079 -0.000194 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.063655 10.228834 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000018 0.000008 -0.000003 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.709261 2.588573 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000082 -0.000060 -0.000010 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.773082 11.569268 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000009 0.000019 -0.000011 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.531703 12.782883 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 0.000015 -0.000011 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.330072 10.674963 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000010 0.000012 -0.000015 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.796647 4.789539 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000056 0.000114 -0.000125 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.437226 9.605202 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000025 0.000013 -0.000006 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.588177 5.028772 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000031 0.000007 -0.000044 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.807343 10.283566 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000020 0.000011 -0.000007 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.132669 3.359146 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000114 -0.000039 -0.000035 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.380371 5.236118 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000036 0.000103 -0.000109 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.607697 4.439549 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000046 0.000023 -0.000070 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.655958 11.836242 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000009 0.000015 -0.000014 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.517013 10.915953 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000010 0.000020 -0.000011 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.836760 11.171095 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 0.000019 -0.000017 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.037866 4.131068 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000112 -0.000013 -0.000024 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 10 - Polarizability point coords 10.544201 7.987610 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000024 -0.000037 -0.000076 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.188304 8.875139 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000039 -0.000025 -0.000045 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.746327 14.536805 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000016 0.000005 -0.000104 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.248291 15.799559 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000049 0.000006 -0.000056 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.439681 10.084803 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000041 -0.000022 -0.000053 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.977683 12.385662 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000026 -0.000008 -0.000106 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.607879 7.589437 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000025 -0.000043 -0.000092 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.326355 12.627117 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000033 -0.000010 -0.000075 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.954796 8.562876 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000029 -0.000031 -0.000065 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.916141 13.782158 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000045 -0.000004 -0.000060 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.016969 10.173209 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000032 -0.000024 -0.000078 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.589093 11.509461 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000044 -0.000015 -0.000063 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.080866 11.264264 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000036 -0.000016 -0.000095 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.341642 9.944730 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000027 -0.000026 -0.000105 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.481969 13.409644 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000038 -0.000007 -0.000065 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.283615 11.379867 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000027 -0.000017 -0.000087 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.087400 9.423250 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000033 -0.000025 -0.000057 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.487096 11.892233 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000038 -0.000014 -0.000056 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.328854 15.620496 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000011 0.000015 -0.000112 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.444616 8.929871 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000040 -0.000024 -0.000041 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.090221 16.570132 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000051 0.000009 -0.000051 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.863949 8.242753 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000015 -0.000039 -0.000099 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.725003 7.322463 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000027 -0.000034 -0.000055 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.849258 6.375822 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000023 -0.000049 -0.000079 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.000566 13.922565 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000017 0.000005 -0.000115 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.521619 9.828003 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000040 -0.000021 -0.000044 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.773264 14.719156 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000034 -0.000000 -0.000071 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.818187 9.553503 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000045 -0.000023 -0.000048 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.418828 15.027636 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000053 0.000003 -0.000057 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.584419 14.369256 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000023 0.000009 -0.000114 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.792784 14.129933 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000027 -0.000006 -0.000062 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.050888 8.483741 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000022 -0.000027 -0.000052 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.515774 8.049592 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000030 -0.000043 -0.000119 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.358728 7.886501 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000032 -0.000039 -0.000083 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.153617 15.351734 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000047 0.000002 -0.000053 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 11 - Polarizability point coords 4.836760 14.373845 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.807344 15.261374 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.634633 20.923040 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.132670 22.185794 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.058720 16.471038 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.403278 18.771897 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.773082 13.975671 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.054606 19.013352 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.426164 14.949111 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.464819 20.168393 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.363992 16.559444 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.791868 17.895696 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.300094 17.650499 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.039319 16.330965 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.898992 19.795879 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.097346 17.766102 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.293561 15.809485 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.106135 18.278468 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.052107 22.006731 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.063655 15.316106 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.709261 22.956367 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.517012 14.628988 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.655958 13.708698 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.531703 12.762057 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.380395 20.308800 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.140658 16.214238 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.607697 21.105391 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.437226 15.939738 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.037867 21.413871 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.796542 20.755491 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.588177 20.516167 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.330072 14.869976 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.865186 14.435827 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.022233 14.272736 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.772656 21.737969 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 12 - Polarizability point coords -19.097640 15.371730 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.602290 15.716937 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.827080 11.008067 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.234289 10.193207 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.567767 13.652707 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.439399 17.658439 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.596446 17.495348 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.407026 12.917822 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.035468 16.982063 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.520352 15.460137 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.058354 13.159277 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.996813 11.762781 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.364286 14.165073 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.422313 15.600210 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.168071 16.121690 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.161538 14.280676 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.562640 12.135296 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.669764 14.035478 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.409525 9.924444 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -27.525287 16.615069 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.170893 8.974808 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.688550 17.955503 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.929929 19.169118 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.131560 17.061198 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.664985 11.175774 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -25.898858 15.991437 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -20.873455 11.415007 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.268976 16.669800 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.328963 9.745380 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.081261 11.622353 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.853935 10.825784 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.805674 18.222477 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.944619 17.302188 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.624872 17.557330 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.499498 10.517303 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 13 - Polarizability point coords -12.444663 8.985495 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000031 -0.000029 -0.000034 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.940013 9.330702 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000024 -0.000046 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.715223 4.621832 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000058 -0.000042 -0.000011 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.308014 3.806972 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000015 -0.000043 -0.000044 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.974536 7.266472 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000017 -0.000030 -0.000040 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.102904 11.272204 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000030 -0.000026 -0.000038 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.945857 11.109113 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000044 -0.000032 -0.000032 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.135277 6.531587 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000033 -0.000034 -0.000031 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.506836 10.595828 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000022 -0.000024 -0.000036 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.021951 9.073902 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000010 -0.000026 -0.000046 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.483949 6.773043 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000050 -0.000039 -0.000023 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.545491 5.376546 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000019 -0.000037 -0.000043 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.178017 7.778838 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000038 -0.000033 -0.000027 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.119990 9.213975 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000044 -0.000034 -0.000028 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.374232 9.735455 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000016 -0.000024 -0.000040 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.380765 7.894441 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000040 -0.000035 -0.000034 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.979663 5.749061 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000026 -0.000034 -0.000036 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.872539 7.649243 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000018 -0.000031 -0.000045 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.132779 3.538209 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000069 -0.000047 -0.000003 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.017016 10.228834 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 -0.000021 -0.000049 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.371411 2.588573 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000015 -0.000051 -0.000046 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.853753 11.569268 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000035 -0.000027 -0.000032 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.612374 12.782883 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000029 -0.000023 -0.000034 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.410744 10.674963 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000017 -0.000021 -0.000032 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.877318 4.789539 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000062 -0.000046 -0.000016 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.643445 9.605202 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000001 -0.000024 -0.000052 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.668848 5.028772 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000030 -0.000032 -0.000025 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.273328 10.283566 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000001 -0.000022 -0.000048 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.213340 3.359146 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000019 -0.000046 -0.000044 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.461042 5.236118 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000062 -0.000044 -0.000012 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.688368 4.439549 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000035 -0.000038 -0.000030 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.736629 11.836242 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000016 -0.000020 -0.000038 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.597684 10.915953 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000040 -0.000030 -0.000024 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.917431 11.171095 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000029 -0.000025 -0.000032 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.042805 4.131068 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000015 -0.000046 -0.000050 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 14 - Polarizability point coords 2.463531 7.987609 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.107633 8.875142 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.334346 14.536802 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.167617 15.799561 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.359009 10.084805 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.102989 12.385660 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.527209 7.589435 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.245682 12.627117 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.874126 8.562877 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.835468 13.782160 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.936298 10.173209 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.508421 11.509463 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003817 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.000195 11.264263 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.739029 9.944727 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.401296 13.409645 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.202943 11.379865 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.006729 9.423251 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.406423 11.892234 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.751820 15.620492 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.363944 8.929875 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.009546 16.570134 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.216721 8.242750 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.644333 7.322464 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.768589 6.375821 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.080107 13.922561 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.440947 9.828006 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.692591 14.719156 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.737515 9.553506 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.338154 15.027638 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.496254 14.369253 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.712111 14.129933 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.970218 8.483743 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.564896 8.049589 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.278058 7.886500 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.072943 15.351736 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 15 - Polarizability point coords -3.243914 14.373844 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.888016 15.261377 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.553962 20.923037 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.948000 22.185796 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.139393 16.471040 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.322606 18.771895 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.307592 13.975670 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.026065 19.013352 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.654509 14.949112 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.615851 20.168395 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.716681 16.559444 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.288804 17.895698 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003817 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.780578 17.650498 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.041354 16.330962 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.181679 19.795880 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.983327 17.766100 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.787112 15.809486 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.186806 18.278469 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.971437 22.006727 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.144327 15.316110 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.789929 22.956369 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.436338 14.628985 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.424716 13.708699 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.548972 12.762056 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.299723 20.308796 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.221331 16.214241 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.472974 21.105391 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.517899 15.939741 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.118537 21.413873 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.715871 20.755488 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.492494 20.516168 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.750601 14.869978 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.784513 14.435824 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.058441 14.272735 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.853326 21.737971 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 16 - Polarizability point coords -11.016969 28.144200 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.521619 28.489407 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.746409 23.780537 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.153618 22.965676 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.487096 26.425177 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.358728 30.430909 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.515775 30.267818 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.326355 25.690292 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.954796 29.754533 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.439681 28.232607 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.977683 25.931747 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.916141 24.535251 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.283615 26.937543 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.341642 28.372680 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.087400 28.894160 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.080867 27.053146 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.481969 24.907766 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.589093 26.807948 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.328854 22.696914 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.444616 29.387539 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.090221 21.747277 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.607879 30.727973 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.849258 31.941587 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.050888 29.833668 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.584314 23.948244 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.818187 28.763906 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.792784 24.187477 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.188304 29.442270 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.248292 22.517850 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.000590 24.394823 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.773264 23.598254 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.725003 30.994947 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.863948 30.074657 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.544201 30.329800 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.418827 23.289773 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 17 - Polarizability point coords -4.363992 21.757965 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.140658 22.103172 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.634552 17.394302 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.772657 16.579441 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.106135 20.038942 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.022233 24.044674 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.865186 23.881583 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.054606 19.304057 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.426164 23.368298 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.058720 21.846372 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.403278 19.545512 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.464819 18.149016 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.097346 20.551308 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.039319 21.986445 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.293561 22.507925 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.300094 20.666911 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.898992 18.521531 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.791868 20.421713 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.052107 16.310679 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.063655 23.001304 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.709261 15.361042 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.773082 24.341738 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.531703 25.555353 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.330072 23.447433 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.796647 17.562009 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.437226 22.377672 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.588177 17.801242 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.807343 23.056035 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.132669 16.131615 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.380371 18.008588 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.607697 17.212019 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.655958 24.608712 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.517013 23.688423 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.836760 23.943565 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.037866 16.903538 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 18 - Polarizability point coords 10.544201 20.760080 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.188304 21.647609 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.746327 27.309275 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.248291 28.572029 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.439681 22.857273 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.977683 25.158132 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.607879 20.361906 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.326355 25.399587 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.954796 21.335346 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.916141 26.554628 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.016969 22.945679 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.589093 24.281931 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.080866 24.036734 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.341642 22.717200 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.481969 26.182114 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.283615 24.152337 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.087400 22.195720 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.487096 24.664703 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.328854 28.392966 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.444616 21.702341 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.090221 29.342602 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.863949 21.015222 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.725003 20.094933 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.849258 19.148292 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.000566 26.695035 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.521619 22.600473 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.773264 27.491626 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.818187 22.325973 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.418828 27.800106 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.584419 27.141726 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.792784 26.902402 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.050888 21.256211 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.515774 20.822062 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.358728 20.658971 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.153617 28.124204 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 19 - Polarizability point coords 4.836760 27.146314 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.807344 28.033844 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.634633 33.695510 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.132670 34.958264 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.058720 29.243508 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.403278 31.544367 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.773082 26.748141 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.054606 31.785822 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.426164 27.721581 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.464819 32.940863 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.363992 29.331914 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.791868 30.668166 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.300094 30.422969 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.039319 29.103435 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.898992 32.568349 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.097346 30.538571 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.293561 28.581955 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.106135 31.050938 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.052107 34.779201 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.063655 28.088576 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.709261 35.728837 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.517012 27.401457 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.655958 26.481168 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.531703 25.534527 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.380395 33.081270 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.140658 28.986707 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.607697 33.877861 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.437226 28.712208 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.037867 34.186341 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.796542 33.527961 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.588177 33.288637 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.330072 27.642446 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.865186 27.208297 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.022233 27.045206 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.772656 34.510439 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 20 - Polarizability point coords -19.097640 28.144200 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.602290 28.489407 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.827080 23.780537 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.234289 22.965676 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.567767 26.425177 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.439399 30.430909 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.596446 30.267818 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.407026 25.690292 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.035468 29.754533 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.520352 28.232607 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.058354 25.931747 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.996813 24.535251 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.364286 26.937543 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.422313 28.372680 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.168071 28.894160 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.161538 27.053146 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.562640 24.907766 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.669764 26.807948 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.409525 22.696914 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -27.525287 29.387539 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.170893 21.747277 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.688550 30.727973 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.929929 31.941587 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.131560 29.833668 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.664985 23.948244 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -25.898858 28.763906 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -20.873455 24.187477 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.268976 29.442270 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.328963 22.517850 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.081261 24.394823 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.853935 23.598254 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.805674 30.994947 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.944619 30.074657 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.624872 30.329800 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.499498 23.289773 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 21 - Polarizability point coords -12.444663 21.757965 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.940013 22.103172 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.715223 17.394302 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.308014 16.579441 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.974536 20.038942 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.102904 24.044674 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.945857 23.881583 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.135277 19.304057 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.506836 23.368298 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.021951 21.846372 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.483949 19.545512 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.545491 18.149016 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.178017 20.551308 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.119990 21.986445 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.374232 22.507925 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.380765 20.666911 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.979663 18.521531 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.872539 20.421713 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.132779 16.310679 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.017016 23.001304 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.371411 15.361042 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.853753 24.341738 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.612374 25.555353 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.410744 23.447433 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.877318 17.562009 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.643445 22.377672 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.668848 17.801242 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.273328 23.056035 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.213340 16.131615 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.461042 18.008588 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.688368 17.212019 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.736629 24.608712 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.597684 23.688423 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.917431 23.943565 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.042805 16.903538 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 22 - Polarizability point coords 2.463531 20.760079 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.107633 21.647612 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.334346 27.309272 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.167617 28.572031 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.359009 22.857275 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.102989 25.158130 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.527209 20.361905 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.245682 25.399587 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.874126 21.335347 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.835468 26.554630 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.936298 22.945679 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.508421 24.281933 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003817 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.000195 24.036733 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.739029 22.717197 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.401296 26.182115 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.202943 24.152335 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.006729 22.195721 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.406423 24.664704 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.751820 28.392962 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.363944 21.702344 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.009546 29.342604 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.216721 21.015220 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.644333 20.094934 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.768589 19.148291 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.080107 26.695031 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.440947 22.600476 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.692591 27.491626 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.737515 22.325976 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.338154 27.800108 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.496254 27.141723 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.712111 26.902403 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.970218 21.256212 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.564896 20.822059 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.278058 20.658970 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.072943 28.124206 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 23 - Polarizability point coords -3.243914 27.146314 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.888016 28.033847 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.553962 33.695507 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.948000 34.958265 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.139393 29.243510 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.322606 31.544365 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.307592 26.748140 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.026065 31.785822 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.654509 27.721582 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.615851 32.940865 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.716681 29.331914 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.288804 30.668167 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003817 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.780578 30.422967 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.041354 29.103432 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.181679 32.568350 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.983327 30.538570 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.787112 28.581956 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.186806 31.050939 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.971437 34.779197 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.144327 28.088579 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.789929 35.728839 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.436338 27.401455 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.424716 26.481169 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.548972 25.534526 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.299723 33.081266 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.221331 28.986711 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.472974 33.877861 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.517899 28.712211 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.118537 34.186343 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.715871 33.527958 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.492494 33.288638 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.750601 27.642447 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.784513 27.208294 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.058441 27.045205 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.853326 34.510441 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 24 - Polarizability point coords -11.016969 40.916670 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000705 -0.000989 -0.000771 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.521619 41.261877 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000588 0.001925 -0.001948 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.746409 36.553007 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000214 0.000286 -0.000247 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.153618 35.738146 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000052 0.000451 -0.000420 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.487096 39.197647 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000208 0.000015 -0.001195 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.358728 43.203379 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.001955 -0.001982 -0.001144 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.515775 43.040288 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.003119 0.002230 -0.000480 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.326355 38.462762 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000246 -0.000327 -0.000563 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.954796 42.527003 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000402 -0.002646 -0.001142 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.439681 41.005076 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000352 0.000844 -0.002339 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.977683 38.704217 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000539 0.000333 -0.000349 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.916141 37.307721 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000127 0.000323 -0.000704 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.283615 39.710013 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000734 -0.000261 -0.000502 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.341642 41.145150 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.001437 0.000513 -0.000543 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.087400 41.666630 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000534 -0.001227 -0.002129 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.080867 39.825616 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000715 -0.000139 -0.000516 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.481969 37.680236 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000033 -0.000100 -0.000683 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.589093 39.580418 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000297 0.000155 -0.001343 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.328854 35.469384 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000087 0.000288 -0.000177 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.444616 42.160009 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.001698 0.002785 -0.001462 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.090221 34.519747 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000040 0.000428 -0.000248 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.607879 43.500443 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.003306 -0.000876 -0.000965 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.849258 44.714057 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.003477 -0.003626 -0.001627 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.050888 42.606138 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000520 -0.002636 -0.000881 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.584314 36.720714 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000195 0.000336 -0.000210 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.818187 41.536376 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000599 0.002918 -0.002007 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.792784 36.959947 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000082 -0.000235 -0.000462 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.188304 42.214740 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000917 0.002831 -0.002943 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.248292 35.290320 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000070 0.000386 -0.000375 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.000590 37.167293 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000213 0.000412 -0.000237 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.773264 36.370723 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000076 -0.000059 -0.000430 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.725003 43.767417 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000958 -0.005015 -0.002137 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.863948 42.847127 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.002820 0.001162 -0.001202 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.544201 43.102270 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.001794 -0.002233 -0.000784 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.418827 36.062243 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000094 0.000524 -0.000404 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 25 - Polarizability point coords -4.363992 34.530435 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.140658 34.875642 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.634552 30.166772 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.772657 29.351911 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.106135 32.811412 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.022233 36.817144 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.865186 36.654053 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.054606 32.076527 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.426164 36.140768 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.058720 34.618841 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.403278 32.317982 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.464819 30.921486 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.097346 33.323778 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.039319 34.758915 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.293561 35.280395 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.300094 33.439381 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.898992 31.294001 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.791868 33.194183 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.052107 29.083149 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.063655 35.773774 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.709261 28.133512 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.773082 37.114208 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.531703 38.327822 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.330072 36.219903 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.796647 30.334479 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.437226 35.150141 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.588177 30.573712 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.807343 35.828505 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.132669 28.904085 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.380371 30.781058 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.607697 29.984488 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.655958 37.381182 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.517013 36.460892 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.836760 36.716035 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.037866 29.676008 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 26 - Polarizability point coords 10.544201 33.532549 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000050 -0.000001 0.000012 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.188304 34.420079 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000036 -0.000010 -0.000003 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.746327 40.081745 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000078 -0.000033 0.000029 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.248291 41.344499 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000047 -0.000038 -0.000002 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.439681 35.629743 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000041 -0.000013 -0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.977683 37.930602 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000072 -0.000016 0.000026 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.607879 33.134376 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000056 0.000005 0.000016 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.326355 38.172057 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000055 -0.000020 0.000011 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.954796 34.107816 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000046 -0.000005 0.000007 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.916141 39.327098 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000048 -0.000027 0.000002 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.016969 35.718149 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000054 -0.000009 0.000012 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.589093 37.054401 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000048 -0.000017 0.000003 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.080866 36.809204 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000064 -0.000011 0.000019 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.341642 35.489670 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000065 -0.000002 0.000022 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.481969 38.954584 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000049 -0.000024 0.000005 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.283615 36.924806 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000060 -0.000013 0.000017 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.087400 34.968190 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000042 -0.000010 0.000003 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.487096 37.437172 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000043 -0.000018 0.000001 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.328854 41.165436 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000088 -0.000046 0.000035 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.444616 34.474811 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000033 -0.000011 -0.000006 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.090221 42.115072 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000044 -0.000042 -0.000005 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.863949 33.787692 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000060 0.000005 0.000021 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.725003 32.867403 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000040 -0.000004 0.000003 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.849258 31.920762 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000050 0.000006 0.000012 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.000566 39.467504 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000083 -0.000027 0.000034 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.521619 35.372942 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000035 -0.000013 -0.000004 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.773264 40.264096 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000054 -0.000032 0.000009 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.818187 35.098443 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000039 -0.000012 -0.000004 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.418828 40.572576 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000049 -0.000034 -0.000001 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.584419 39.914196 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000083 -0.000032 0.000033 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.792784 39.674872 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000047 -0.000026 0.000005 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.050888 34.028681 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000038 -0.000007 0.000003 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.515774 33.594532 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000065 0.000009 0.000022 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.358728 33.431441 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000053 0.000001 0.000012 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.153617 40.896674 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000043 -0.000034 -0.000003 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 27 - Polarizability point coords 4.836760 39.918784 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000000 0.000002 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.807344 40.806314 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000001 0.000002 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.634633 46.467980 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000003 0.000000 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.132670 47.730734 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000005 -0.000001 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.058720 42.015978 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000002 0.000002 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.403278 44.316837 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000003 0.000001 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.773082 39.520611 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000000 0.000002 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.054606 44.558292 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000004 0.000003 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.426164 40.494051 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000001 0.000003 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.464819 45.713333 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000005 0.000001 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.363992 42.104384 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000002 0.000003 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.791868 43.440636 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000003 0.000002 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.300094 43.195439 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000002 0.000002 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.039319 41.875905 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000002 0.000001 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.898992 45.340819 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000005 0.000002 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.097346 43.311041 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000003 0.000002 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.293561 41.354425 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000002 0.000003 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.106135 43.823407 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000004 0.000002 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.052107 47.551671 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000001 -0.000003 -0.000000 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.063655 40.861046 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000000 0.000003 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.709261 48.501307 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000004 -0.000001 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.517012 40.173927 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000001 0.000001 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.655958 39.253638 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 0.000000 0.000003 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.531703 38.306997 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 0.000000 0.000002 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.380395 45.853739 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000003 0.000000 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.140658 41.759177 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000002 0.000002 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.607697 46.650331 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000006 0.000001 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.437226 41.484678 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000001 0.000002 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.037867 46.958811 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000004 -0.000001 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.796542 46.300431 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000003 0.000000 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.588177 46.061107 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000007 0.000003 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.330072 40.414916 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000000 0.000004 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.865186 39.980766 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000001 0.000001 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.022233 39.817676 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000001 0.000002 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.772656 47.282909 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000005 -0.000001 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 28 - Polarizability point coords -19.097640 40.916670 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.602290 41.261877 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.827080 36.553007 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.234289 35.738146 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.567767 39.197647 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.439399 43.203379 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.596446 43.040288 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.407026 38.462762 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.035468 42.527003 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.520352 41.005076 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.058354 38.704217 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.996813 37.307721 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.364286 39.710013 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -15.422313 41.145150 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.168071 41.666630 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.161538 39.825616 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -21.562640 37.680236 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.669764 39.580418 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.409525 35.469384 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -27.525287 42.160009 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -24.170893 34.519747 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.688550 43.500443 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.929929 44.714057 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.131560 42.606138 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.664985 36.720714 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -25.898858 41.536376 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -20.873455 36.959947 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -26.268976 42.214740 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.328963 35.290320 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.081261 37.167293 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.853935 36.370723 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -22.805674 43.767417 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.944619 42.847127 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.624872 43.102270 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -23.499498 36.062243 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 29 - Polarizability point coords -12.444663 34.530435 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.940013 34.875642 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.715223 30.166772 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.308014 29.351911 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.974536 32.811412 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.102904 36.817144 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.945857 36.654053 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.135277 32.076527 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.506836 36.140768 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.021951 34.618841 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.483949 32.317982 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.545491 30.921486 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.178017 33.323778 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.119990 34.758915 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.374232 35.280395 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.380765 33.439381 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.979663 31.294001 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.872539 33.194183 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -19.132779 29.083149 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.017016 35.773774 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.371411 28.133512 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -14.853753 37.114208 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -13.612374 38.327822 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.410744 36.219903 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -17.877318 30.334479 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.643445 35.150141 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.668848 30.573712 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.273328 35.828505 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.213340 28.904085 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -18.461042 30.781058 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.688368 29.984488 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.736629 37.381182 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -16.597684 36.460892 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.917431 36.716035 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.042805 29.676008 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 30 - Polarizability point coords 2.463531 33.532549 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.107633 34.420082 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.334346 40.081742 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.167617 41.344500 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.359009 35.629745 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.102989 37.930600 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.527209 33.134375 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.245682 38.172057 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.874126 34.107816 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.835468 39.327100 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.936298 35.718149 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.508421 37.054402 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003817 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.000195 36.809202 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.739029 35.489667 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.401296 38.954584 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.202943 36.924805 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.006729 34.968191 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.406423 37.437174 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.751820 41.165432 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.363944 34.474814 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.009546 42.115074 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.216721 33.787690 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.644333 32.867404 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.768589 31.920761 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.080107 39.467501 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.440947 35.372946 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.692591 40.264096 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.737515 35.098446 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.338154 40.572578 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.496254 39.914193 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.712111 39.674873 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.970218 34.028682 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.564896 33.594529 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.278058 33.431440 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.072943 40.896676 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 31 - Polarizability point coords -3.243914 39.918783 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000152 -0.000165 -0.000171 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.888016 40.806317 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000382 -0.000729 -0.000039 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.553962 46.467977 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000167 -0.000314 -0.000142 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.948000 47.730735 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.002138 -0.002998 0.001487 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -9.139393 42.015980 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000527 -0.000690 -0.000058 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.322606 44.316835 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000145 -0.000264 -0.000237 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.307592 39.520610 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000102 -0.000114 -0.000194 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.026065 44.558292 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000377 -0.000458 -0.000190 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.654509 40.494051 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000238 -0.000256 -0.000158 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.615851 45.713335 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.001145 -0.001366 0.000125 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.716681 42.104384 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000249 -0.000267 -0.000227 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.288804 43.440637 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000720 -0.000702 -0.000218 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003817 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.780578 43.195437 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000211 -0.000264 -0.000322 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.041354 41.875902 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000107 -0.000165 -0.000224 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -6.181679 45.340819 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000651 -0.000781 -0.000055 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.983327 43.311040 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000205 -0.000273 -0.000203 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.787112 41.354426 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000353 -0.000428 -0.000106 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.186806 43.823409 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000576 -0.000783 0.000049 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.971437 47.551667 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000157 -0.000317 -0.000118 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -12.144327 40.861049 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000295 -0.000923 -0.000020 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.789929 48.501309 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.002530 -0.005261 0.005055 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.436338 40.173925 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000076 -0.000119 -0.000153 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.424716 39.253639 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000219 -0.000264 -0.000120 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -2.548972 38.306996 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000109 -0.000106 -0.000172 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.299723 45.853736 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000122 -0.000277 -0.000176 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -11.221331 41.759181 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000386 -0.000919 0.000083 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.472974 46.650331 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000576 -0.000737 -0.000052 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -10.517899 41.484681 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000547 -0.000888 -0.000048 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.118537 46.958813 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.002622 -0.003224 0.000958 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.715871 46.300428 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000146 -0.000338 -0.000223 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -5.492494 46.061107 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000420 -0.000583 0.000114 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -7.750601 40.414917 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000204 -0.000314 -0.000042 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.784513 39.980764 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000057 -0.000091 -0.000216 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.058441 39.817675 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000162 -0.000143 -0.000231 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -8.853326 47.282911 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.001529 -0.002840 0.001771 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 32 - Polarizability point coords 11.664279 2.599261 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.159630 2.944467 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.934840 -1.764403 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.527631 -2.579263 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.194153 0.880237 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.322521 4.885969 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.165474 4.722878 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.354894 0.145353 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.726452 4.209593 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.241568 2.687667 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.703566 0.386808 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.765107 -1.009688 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.397634 1.392603 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.339607 2.827740 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.593849 3.349220 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.600382 1.508206 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.199280 -0.637174 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.092155 1.263009 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.352395 -2.848026 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.236633 3.842599 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.591027 -3.797662 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.073370 5.183033 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.831991 6.396648 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.630360 4.288729 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.096935 -1.596696 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.863062 3.218967 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.888465 -1.357463 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.492944 3.897331 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.432957 -3.027089 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.680659 -1.150117 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.907985 -1.946686 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.956246 5.450007 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.817300 4.529718 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.137048 4.784860 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.262422 -2.255167 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 33 - Polarizability point coords 18.317257 -3.786974 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000012 -0.000064 -0.000023 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.821907 -3.441768 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000008 -0.000032 -0.000017 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.046697 -8.150638 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000087 -0.000065 -0.000001 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.453906 -8.965498 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000011 -0.000032 -0.000018 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.787384 -5.505998 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000039 -0.000019 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.659016 -1.500266 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000005 -0.000074 -0.000028 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.816063 -1.663357 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000008 -0.000120 -0.000030 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.626643 -6.240882 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000025 -0.000053 -0.000019 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.255084 -2.176641 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 -0.000054 -0.000024 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.739969 -3.698568 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 -0.000039 -0.000019 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.277971 -5.999427 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000059 -0.000082 -0.000013 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.216429 -7.395923 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000012 -0.000038 -0.000019 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.583903 -4.993632 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000029 -0.000070 -0.000019 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.641930 -3.558495 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000030 -0.000097 -0.000021 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.387688 -3.037015 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000044 -0.000021 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.381154 -4.878029 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000031 -0.000075 -0.000021 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.782257 -7.023409 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000018 -0.000043 -0.000019 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.889381 -5.123226 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000044 -0.000020 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.629141 -9.234261 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000117 -0.000053 0.000007 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.744904 -2.543636 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000012 -0.000030 -0.000015 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.390509 -10.183897 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000012 -0.000029 -0.000019 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.908167 -1.203202 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000004 -0.000090 -0.000031 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.149546 0.010413 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000018 -0.000077 -0.000033 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.351176 -2.097506 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000005 -0.000043 -0.000021 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.884602 -7.982931 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000095 -0.000069 -0.000004 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.118475 -3.167268 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000009 -0.000035 -0.000017 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.093072 -7.743698 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000024 -0.000041 -0.000016 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.488592 -2.488904 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000011 -0.000033 -0.000017 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.548580 -9.413324 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000015 -0.000033 -0.000019 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.300878 -7.536352 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000099 -0.000077 0.000002 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.073552 -8.332921 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000031 -0.000043 -0.000017 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.025291 -0.936228 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000012 -0.000045 -0.000023 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.164236 -1.856517 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000009 -0.000106 -0.000027 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.844488 -1.601375 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000003 -0.000070 -0.000027 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.719115 -8.641402 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000012 -0.000034 -0.000019 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 34 - Polarizability point coords 33.225449 -4.784860 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.869553 -3.897331 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.427576 1.764335 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.929540 3.027089 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 39.120930 -2.687667 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.658932 -0.386808 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.289127 -5.183033 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.007603 -0.145353 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.636045 -4.209593 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.597390 1.009688 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.698218 -2.599261 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.270342 -1.263009 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.762115 -1.508206 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.022891 -2.827740 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 36.163218 0.637174 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.964864 -1.392603 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.768649 -3.349220 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.168344 -0.880237 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.010102 2.848026 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 42.125865 -3.842599 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.771470 3.797662 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.545198 -4.529717 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.406252 -5.450007 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.530507 -6.396648 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.681815 1.150095 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 41.202868 -2.944467 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.454513 1.946686 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.499436 -3.218967 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.100077 2.255166 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.265668 1.596786 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.474033 1.357463 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.732137 -4.288728 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.197023 -4.722878 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.039977 -4.885969 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.834866 2.579264 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 35 - Polarizability point coords 27.518009 1.601375 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.003200 0.000376 0.002562 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.873905 2.488904 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000423 -0.000098 0.000661 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.315882 8.150570 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001331 0.000187 -0.000865 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.813919 9.413324 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000025 -0.000462 0.000477 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.622529 3.698568 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000493 -0.000240 0.001085 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.084527 5.999427 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.002341 -0.000133 -0.000817 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.454331 1.203202 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.003384 -0.001356 -0.000138 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.735855 6.240882 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001612 -0.001712 0.002693 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.107413 2.176641 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000050 0.000577 0.003733 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.146068 7.395923 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000114 -0.000632 0.000908 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.045240 3.786974 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.002486 -0.000428 0.003742 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.473116 5.123226 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000219 -0.000536 0.001441 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.981343 4.878029 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.002698 -0.000663 0.001079 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.720568 3.558495 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.003229 -0.000264 -0.001341 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.580241 7.023409 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000080 -0.001176 0.001678 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.778595 4.993632 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.004227 -0.000880 0.001632 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.974810 3.037015 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000780 -0.000120 0.002088 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.575114 5.505998 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000512 -0.000635 0.001483 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.733356 9.234261 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000770 0.000236 -0.000685 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.617594 2.543636 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000325 -0.000086 0.000463 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.971988 10.183897 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000034 -0.000336 0.000330 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.198261 1.856518 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.003443 -0.001261 -0.004082 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.337207 0.936228 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000925 0.000450 0.002080 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.212952 -0.010413 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.002021 -0.001699 0.001769 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.061644 7.536330 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001148 0.000275 -0.001036 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.540590 3.441768 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000414 -0.000150 0.000621 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.288946 8.332921 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000759 -0.001406 0.001231 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.244023 3.167268 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000336 -0.000141 0.000638 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.643382 8.641401 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000040 -0.000404 0.000493 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.477790 7.983021 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.001159 0.000034 -0.000679 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.269426 7.743698 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000431 -0.002430 0.002200 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.011321 2.097506 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.001886 0.000831 0.003123 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.546435 1.663357 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.002363 -0.001206 -0.001470 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.703482 1.500266 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.002110 -0.000284 0.002013 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.908592 8.965499 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000100 -0.000434 0.000486 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 36 - Polarizability point coords 3.583608 2.599261 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.921042 2.944467 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.854169 -1.764403 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.553040 -2.579263 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.886518 0.880237 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.241850 4.885969 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.084803 4.722878 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.274223 0.145353 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.645781 4.209593 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.839103 2.687667 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.622894 0.386808 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.315564 -1.009688 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.316963 1.392603 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.258936 2.827740 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.486822 3.349220 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.519711 1.508206 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.118609 -0.637174 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.011484 1.263009 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.271724 -2.848026 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.844038 3.842599 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.489644 -3.797662 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.992699 5.183033 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.751320 6.396648 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.450311 4.288729 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.016264 -1.596696 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.217610 3.218967 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.807794 -1.357463 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.587727 3.897331 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.647714 -3.027089 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.599988 -1.150117 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.827314 -1.946686 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.124425 5.450007 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.736629 4.529718 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.056377 4.784860 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.818249 -2.255167 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 37 - Polarizability point coords 10.236586 -3.786974 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.741236 -3.441768 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.966026 -8.150638 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.373234 -8.965498 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.706712 -5.505998 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.578345 -1.500266 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.735392 -1.663357 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.545971 -6.240882 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.174413 -2.176641 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.659298 -3.698568 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.197300 -5.999427 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.135758 -7.395923 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.503232 -4.993632 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.561259 -3.558495 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.307017 -3.037015 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.300483 -4.878029 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.701586 -7.023409 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.808710 -5.123226 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.548470 -9.234261 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.664233 -2.543636 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.309838 -10.183897 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.827495 -1.203202 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.068875 0.010413 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.270505 -2.097506 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.803931 -7.982931 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.037804 -3.167268 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.012401 -7.743698 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.407921 -2.488904 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.467909 -9.413324 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.220207 -7.536352 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.992881 -8.332921 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.944620 -0.936228 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.083565 -1.856517 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.763817 -1.601375 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.638444 -8.641402 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 38 - Polarizability point coords 25.144779 -4.784861 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.788882 -3.897328 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.346903 1.764332 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.848865 3.027091 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.040258 -2.687665 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.578260 -0.386810 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.208458 -5.183035 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.926931 -0.145353 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.555375 -4.209593 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.516717 1.009690 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.617547 -2.599261 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.189670 -1.263007 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003817 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.681444 -1.508207 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.942220 -2.827742 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.082545 0.637175 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.884192 -1.392605 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.687978 -3.349219 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.087672 -0.880236 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.929429 2.848022 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.045193 -3.842595 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.690795 3.797665 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.464528 -4.529720 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.325582 -5.450006 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.449837 -6.396649 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.601142 1.150091 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.122196 -2.944464 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.373840 1.946686 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.418764 -3.218964 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.019403 2.255168 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.184995 1.596783 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.393360 1.357463 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.651467 -4.288727 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.116353 -4.722881 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.959306 -4.885970 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.754192 2.579266 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 39 - Polarizability point coords 19.437335 1.601374 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000008 -0.000001 0.000003 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.793233 2.488907 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000000 -0.000004 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.235211 8.150567 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000009 0.000005 0.000007 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.733249 9.413326 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 0.000001 -0.000004 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.541856 3.698570 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000000 -0.000003 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.003855 5.999425 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000010 0.000003 0.000006 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.373657 1.203200 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000010 -0.000001 0.000005 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.655183 6.240882 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000008 0.000001 0.000001 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.026740 2.176642 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000007 -0.000000 0.000001 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.065398 7.395925 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 0.000001 -0.000003 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.964567 3.786974 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000009 0.000000 0.000002 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.392445 5.123228 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000007 0.000000 -0.000002 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003817 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.900671 4.878028 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000010 0.000001 0.000004 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.639895 3.558492 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000010 0.000001 0.000007 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.499570 7.023410 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000007 0.000001 -0.000001 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.697922 4.993630 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000009 0.000001 0.000004 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.894137 3.037016 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 -0.000000 -0.000001 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.494442 5.505999 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 0.000000 -0.000002 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.652686 9.234257 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000009 0.000006 0.000007 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.536921 2.543640 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000000 -0.000004 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.891319 10.183899 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 0.000000 -0.000005 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.117587 1.856515 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000009 -0.000001 0.000007 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.256533 0.936229 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 -0.000001 -0.000001 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.132277 -0.010414 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000009 -0.000002 0.000003 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.980972 7.536326 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000010 0.000005 0.000008 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.459918 3.441771 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000000 -0.000004 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.208275 8.332921 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000007 0.000002 0.000000 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.163350 3.167271 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000000 -0.000004 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.562712 8.641403 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 0.000001 -0.000005 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.397119 7.983018 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000010 0.000005 0.000007 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.188755 7.743698 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 0.000001 0.000000 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.930648 2.097508 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 -0.000000 -0.000000 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.465761 1.663354 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000011 -0.000001 0.000008 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.622808 1.500265 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000010 -0.000001 0.000003 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.827923 8.965501 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 0.000000 -0.000004 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 40 - Polarizability point coords 11.664279 15.371730 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.159630 15.716937 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.934840 11.008067 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.527631 10.193207 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.194153 13.652707 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.322521 17.658439 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.165474 17.495348 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.354894 12.917822 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.726452 16.982063 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.241568 15.460137 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.703566 13.159277 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.765107 11.762781 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.397634 14.165073 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.339607 15.600210 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.593849 16.121690 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.600382 14.280676 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.199280 12.135296 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.092155 14.035478 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.352395 9.924444 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.236633 16.615069 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.591027 8.974808 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.073370 17.955503 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.831991 19.169118 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.630360 17.061198 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.096935 11.175774 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.863062 15.991437 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.888465 11.415007 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.492944 16.669800 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.432957 9.745380 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.680659 11.622353 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.907985 10.825784 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.956246 18.222477 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.817300 17.302188 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.137048 17.557330 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.262422 10.517303 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 41 - Polarizability point coords 18.317257 8.985495 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000069 -0.000028 -0.000042 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.821907 9.330702 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000040 -0.000015 -0.000017 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.046697 4.621832 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000097 -0.000097 -0.000070 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.453906 3.806972 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000037 -0.000034 -0.000020 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.787384 7.266472 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000045 -0.000026 -0.000025 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.659016 11.272204 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000077 -0.000014 -0.000044 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.816063 11.109113 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000116 -0.000010 -0.000069 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.626643 6.531587 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000061 -0.000042 -0.000039 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.255084 10.595828 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000058 -0.000017 -0.000034 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.739969 9.073902 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000046 -0.000019 -0.000021 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.277971 6.773043 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000101 -0.000060 -0.000065 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.216429 5.376546 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000045 -0.000034 -0.000024 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.583903 7.778838 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000077 -0.000040 -0.000051 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.641930 9.213975 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000103 -0.000031 -0.000065 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.387688 9.735455 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000050 -0.000018 -0.000027 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.381154 7.894441 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000086 -0.000040 -0.000051 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.782257 5.749061 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000049 -0.000038 -0.000030 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.889381 7.649243 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000052 -0.000027 -0.000026 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.629141 3.538209 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000106 -0.000137 -0.000076 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.744904 10.228834 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000039 -0.000012 -0.000014 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.390509 2.588573 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000035 -0.000037 -0.000019 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.908167 11.569268 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000088 -0.000011 -0.000055 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.149546 12.782883 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000076 -0.000004 -0.000047 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.351176 10.674963 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000046 -0.000015 -0.000029 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.884602 4.789539 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000110 -0.000101 -0.000071 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.118475 9.605202 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000044 -0.000015 -0.000017 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.093072 5.028772 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000044 -0.000042 -0.000033 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.488592 10.283566 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000042 -0.000013 -0.000017 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.548580 3.359146 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000039 -0.000039 -0.000022 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.300878 5.236118 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000119 -0.000098 -0.000080 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.073552 4.439549 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000050 -0.000051 -0.000035 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.025291 11.836242 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000051 -0.000011 -0.000028 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.164236 10.915953 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000099 -0.000015 -0.000070 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.844488 11.171095 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000071 -0.000015 -0.000045 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.719115 4.131068 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000042 -0.000036 -0.000021 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 42 - Polarizability point coords 33.225449 7.987610 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.869553 8.875139 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.427576 14.536805 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.929540 15.799559 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 39.120930 10.084803 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.658932 12.385662 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.289127 7.589437 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.007603 12.627117 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.636045 8.562876 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.597390 13.782158 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.698218 10.173209 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.270342 11.509461 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.762115 11.264264 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.022891 9.944730 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 36.163218 13.409644 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.964864 11.379867 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.768649 9.423250 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.168344 11.892233 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.010102 15.620496 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 42.125865 8.929871 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.771470 16.570132 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.545198 8.242753 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.406252 7.322463 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.530507 6.375822 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.681815 13.922565 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 41.202868 9.828003 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.454513 14.719156 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.499436 9.553503 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.100077 15.027636 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.265668 14.369256 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.474033 14.129933 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.732137 8.483741 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.197023 8.049592 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.039977 7.886501 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.834866 15.351734 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 43 - Polarizability point coords 27.518009 14.373845 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.873905 15.261374 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.315882 20.923040 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.813919 22.185794 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.622529 16.471038 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.084527 18.771897 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.454331 13.975671 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.735855 19.013352 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.107413 14.949111 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.146068 20.168393 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.045240 16.559444 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.473116 17.895696 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.981343 17.650499 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.720568 16.330965 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.580241 19.795879 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.778595 17.766102 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.974810 15.809485 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.575114 18.278468 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.733356 22.006731 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.617594 15.316106 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.971988 22.956367 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.198261 14.628988 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.337207 13.708698 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.212952 12.762057 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.061644 20.308800 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.540590 16.214238 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.288946 21.105391 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.244023 15.939738 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.643382 21.413871 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.477790 20.755491 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.269426 20.516167 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.011321 14.869976 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.546435 14.435827 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.703482 14.272736 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.908592 21.737969 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 44 - Polarizability point coords 3.583608 15.371730 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.921042 15.716937 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.854169 11.008067 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.553040 10.193207 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.886518 13.652707 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.241850 17.658439 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.084803 17.495348 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.274223 12.917822 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.645781 16.982063 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.839103 15.460137 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.622894 13.159277 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.315564 11.762781 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.316963 14.165073 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.258936 15.600210 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.486822 16.121690 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.519711 14.280676 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.118609 12.135296 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.011484 14.035478 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.271724 9.924444 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.844038 16.615069 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.489644 8.974808 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.992699 17.955503 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.751320 19.169118 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.450311 17.061198 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.016264 11.175774 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.217610 15.991437 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.807794 11.415007 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.587727 16.669800 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.647714 9.745380 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.599988 11.622353 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.827314 10.825784 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.124425 18.222477 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.736629 17.302188 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.056377 17.557330 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.818249 10.517303 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 45 - Polarizability point coords 10.236586 8.985495 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.741236 9.330702 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.966026 4.621832 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.373234 3.806972 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.706712 7.266472 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.578345 11.272204 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.735392 11.109113 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.545971 6.531587 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.174413 10.595828 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.659298 9.073902 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.197300 6.773043 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.135758 5.376546 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.503232 7.778838 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.561259 9.213975 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.307017 9.735455 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.300483 7.894441 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.701586 5.749061 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.808710 7.649243 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.548470 3.538209 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.664233 10.228834 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.309838 2.588573 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.827495 11.569268 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.068875 12.782883 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.270505 10.674963 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.803931 4.789539 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.037804 9.605202 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.012401 5.028772 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.407921 10.283566 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.467909 3.359146 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.220207 5.236118 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.992881 4.439549 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.944620 11.836242 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.083565 10.915953 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.763817 11.171095 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000000 -0.000000 -0.000000 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.638444 4.131068 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 -0.000000 -0.000000 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 46 - Polarizability point coords 25.144779 7.987609 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.788882 8.875142 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.346903 14.536802 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.848865 15.799561 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.040258 10.084805 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.578260 12.385660 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.208458 7.589435 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.926931 12.627117 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.555375 8.562877 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.516717 13.782160 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.617547 10.173209 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.189670 11.509463 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003817 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.681444 11.264263 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.942220 9.944727 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.082545 13.409645 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.884192 11.379865 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.687978 9.423251 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.087672 11.892234 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.929429 15.620492 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.045193 8.929875 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.690795 16.570134 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.464528 8.242750 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.325582 7.322464 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.449837 6.375821 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.601142 13.922561 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.122196 9.828006 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.373840 14.719156 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.418764 9.553506 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.019403 15.027638 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.184995 14.369253 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.393360 14.129933 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.651467 8.483743 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.116353 8.049589 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.959306 7.886500 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.754192 15.351736 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 47 - Polarizability point coords 19.437335 14.373844 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.793233 15.261377 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.235211 20.923037 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.733249 22.185796 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.541856 16.471040 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.003855 18.771895 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.373657 13.975670 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.655183 19.013352 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.026740 14.949112 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.065398 20.168395 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.964567 16.559444 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.392445 17.895698 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003817 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.900671 17.650498 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.639895 16.330962 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.499570 19.795880 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.697922 17.766100 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.894137 15.809486 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.494442 18.278469 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.652686 22.006727 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.536921 15.316110 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.891319 22.956369 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.117587 14.628985 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.256533 13.708699 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.132277 12.762056 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.980972 20.308796 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.459918 16.214241 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.208275 21.105391 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.163350 15.939741 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.562712 21.413873 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.397119 20.755488 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.188755 20.516168 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.930648 14.869978 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.465761 14.435824 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.622808 14.272735 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.827923 21.737971 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 48 - Polarizability point coords 11.664279 28.144200 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.159630 28.489407 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.934840 23.780537 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.527631 22.965676 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.194153 26.425177 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.322521 30.430909 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.165474 30.267818 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.354894 25.690292 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.726452 29.754533 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.241568 28.232607 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.703566 25.931747 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.765107 24.535251 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.397634 26.937543 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.339607 28.372680 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.593849 28.894160 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.600382 27.053146 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.199280 24.907766 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.092155 26.807948 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.352395 22.696914 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.236633 29.387539 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.591027 21.747277 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.073370 30.727973 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.831991 31.941587 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.630360 29.833668 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.096935 23.948244 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.863062 28.763906 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.888465 24.187477 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.492944 29.442270 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.432957 22.517850 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.680659 24.394823 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.907985 23.598254 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.956246 30.994947 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.817300 30.074657 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.137048 30.329800 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.262422 23.289773 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 49 - Polarizability point coords 18.317257 21.757965 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.821907 22.103172 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.046697 17.394302 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.453906 16.579441 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.787384 20.038942 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.659016 24.044674 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.816063 23.881583 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.626643 19.304057 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.255084 23.368298 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.739969 21.846372 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.277971 19.545512 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.216429 18.149016 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.583903 20.551308 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.641930 21.986445 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.387688 22.507925 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.381154 20.666911 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.782257 18.521531 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.889381 20.421713 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.629141 16.310679 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.744904 23.001304 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.390509 15.361042 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.908167 24.341738 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.149546 25.555353 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.351176 23.447433 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.884602 17.562009 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.118475 22.377672 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.093072 17.801242 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.488592 23.056035 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.548580 16.131615 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.300878 18.008588 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.073552 17.212019 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.025291 24.608712 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.164236 23.688423 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.844488 23.943565 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.719115 16.903538 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 50 - Polarizability point coords 33.225449 20.760080 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.869553 21.647609 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.427576 27.309275 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.929540 28.572029 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 39.120930 22.857273 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.658932 25.158132 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.289127 20.361906 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.007603 25.399587 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.636045 21.335346 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.597390 26.554628 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.698218 22.945679 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.270342 24.281931 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.762115 24.036734 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.022891 22.717200 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 36.163218 26.182114 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.964864 24.152337 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.768649 22.195720 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.168344 24.664703 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.010102 28.392966 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 42.125865 21.702341 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.771470 29.342602 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.545198 21.015222 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.406252 20.094933 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.530507 19.148292 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.681815 26.695035 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 41.202868 22.600473 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.454513 27.491626 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.499436 22.325973 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.100077 27.800106 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.265668 27.141726 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.474033 26.902402 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.732137 21.256211 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.197023 20.822062 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.039977 20.658971 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.834866 28.124204 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 51 - Polarizability point coords 27.518009 27.146314 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.873905 28.033844 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.315882 33.695510 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.813919 34.958264 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.622529 29.243508 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.084527 31.544367 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.454331 26.748141 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.735855 31.785822 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.107413 27.721581 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.146068 32.940863 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.045240 29.331914 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.473116 30.668166 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.981343 30.422969 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.720568 29.103435 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.580241 32.568349 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.778595 30.538571 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.974810 28.581955 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.575114 31.050938 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.733356 34.779201 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.617594 28.088576 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.971988 35.728837 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.198261 27.401457 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.337207 26.481168 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.212952 25.534527 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.061644 33.081270 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.540590 28.986707 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.288946 33.877861 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.244023 28.712208 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.643382 34.186341 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.477790 33.527961 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.269426 33.288637 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.011321 27.642446 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.546435 27.208297 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.703482 27.045206 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.908592 34.510439 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 52 - Polarizability point coords 3.583608 28.144200 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.921042 28.489407 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.854169 23.780537 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.553040 22.965676 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.886518 26.425177 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.241850 30.430909 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.084803 30.267818 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.274223 25.690292 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.645781 29.754533 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.839103 28.232607 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.622894 25.931747 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.315564 24.535251 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.316963 26.937543 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.258936 28.372680 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.486822 28.894160 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.519711 27.053146 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.118609 24.907766 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.011484 26.807948 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.271724 22.696914 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.844038 29.387539 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.489644 21.747277 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.992699 30.727973 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.751320 31.941587 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.450311 29.833668 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.016264 23.948244 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.217610 28.763906 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.807794 24.187477 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.587727 29.442270 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.647714 22.517850 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.599988 24.394823 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.827314 23.598254 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.124425 30.994947 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.736629 30.074657 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.056377 30.329800 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.818249 23.289773 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 53 - Polarizability point coords 10.236586 21.757965 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.741236 22.103172 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.966026 17.394302 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.373234 16.579441 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.706712 20.038942 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.578345 24.044674 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.735392 23.881583 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.545971 19.304057 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.174413 23.368298 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.659298 21.846372 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.197300 19.545512 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.135758 18.149016 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.503232 20.551308 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.561259 21.986445 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.307017 22.507925 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.300483 20.666911 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.701586 18.521531 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.808710 20.421713 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.548470 16.310679 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.664233 23.001304 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.309838 15.361042 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.827495 24.341738 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.068875 25.555353 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.270505 23.447433 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.803931 17.562009 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.037804 22.377672 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.012401 17.801242 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.407921 23.056035 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.467909 16.131615 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.220207 18.008588 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.992881 17.212019 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.944620 24.608712 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.083565 23.688423 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.763817 23.943565 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.638444 16.903538 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 54 - Polarizability point coords 25.144779 20.760079 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.788882 21.647612 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.346903 27.309272 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.848865 28.572031 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.040258 22.857275 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.578260 25.158130 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.208458 20.361905 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.926931 25.399587 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.555375 21.335347 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.516717 26.554630 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.617547 22.945679 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.189670 24.281933 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003817 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.681444 24.036733 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.942220 22.717197 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.082545 26.182115 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.884192 24.152335 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.687978 22.195721 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.087672 24.664704 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.929429 28.392962 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.045193 21.702344 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.690795 29.342604 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.464528 21.015220 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.325582 20.094934 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.449837 19.148291 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.601142 26.695031 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.122196 22.600476 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.373840 27.491626 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.418764 22.325976 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.019403 27.800108 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.184995 27.141723 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.393360 26.902403 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.651467 21.256212 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.116353 20.822059 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.959306 20.658970 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.754192 28.124206 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 55 - Polarizability point coords 19.437335 27.146314 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.793233 28.033847 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.235211 33.695507 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.733249 34.958265 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.541856 29.243510 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.003855 31.544365 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.373657 26.748140 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.655183 31.785822 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.026740 27.721582 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.065398 32.940865 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.964567 29.331914 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.392445 30.668167 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003817 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.900671 30.422967 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.639895 29.103432 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.499570 32.568350 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.697922 30.538570 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.894137 28.581956 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.494442 31.050939 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.652686 34.779197 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.536921 28.088579 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.891319 35.728839 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.117587 27.401455 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.256533 26.481169 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.132277 25.534526 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.980972 33.081266 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.459918 28.986711 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.208275 33.877861 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.163350 28.712211 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.562712 34.186343 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.397119 33.527958 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.188755 33.288638 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.930648 27.642447 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.465761 27.208294 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.622808 27.045205 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.827923 34.510441 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 56 - Polarizability point coords 11.664279 40.916670 8.571017 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.159630 41.261877 3.727272 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.934840 36.553007 9.323269 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.527631 35.738146 3.470142 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.194153 39.197647 6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.322521 43.203379 8.339860 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.165474 43.040288 8.719786 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.354894 38.462762 8.341383 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.726452 42.527003 8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.241568 41.005076 5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.703566 38.704217 8.960653 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.765107 37.307721 5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.397634 39.710013 9.317312 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.339607 41.145150 9.184184 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.593849 41.666630 7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.600382 39.825616 8.185563 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.199280 37.680236 6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.092155 39.580418 5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.352395 35.469384 8.860735 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.236633 42.160009 2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.591027 34.519747 2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.073370 43.500443 9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.831991 44.714057 9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.630360 42.606138 9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.096935 36.720714 8.356857 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.863062 41.536376 3.083473 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.888465 36.959947 8.922441 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.492944 42.214740 3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.432957 35.290320 3.518027 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.680659 37.167293 9.040343 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.907985 36.370723 7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.956246 43.767417 7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.817300 42.847127 10.282389 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.137048 43.102270 9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.262422 36.062243 2.885267 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 57 - Polarizability point coords 18.317257 34.530435 2.886817 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.821907 34.875642 7.730563 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.046697 30.166772 2.134565 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.453906 29.351911 7.987693 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.787384 32.811412 5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.659016 36.817144 3.117975 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.816063 36.654053 2.738049 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.626643 32.076527 3.116452 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.255084 36.140768 3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.739969 34.618841 6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.277971 32.317982 2.497182 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.216429 30.921486 6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.583903 33.323778 2.140523 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.641930 34.758915 2.273651 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.387688 35.280395 4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.381154 33.439381 3.272272 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.782257 31.294001 4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.889381 33.194183 5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.629141 29.083149 2.597099 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.744904 35.773774 9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.390509 28.133512 9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.908167 37.114208 2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.149546 38.327822 2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.351176 36.219903 2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.884602 30.334479 3.100978 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.118475 35.150141 8.374362 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.093072 30.573712 2.535393 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.488592 35.828505 7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.548580 28.904085 7.939807 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.300878 30.781058 2.417492 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.073552 29.984488 3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.025291 37.381182 3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.164236 36.460892 1.175445 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.844488 36.716035 2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.719115 29.676008 8.572568 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 58 - Polarizability point coords 33.225449 33.532549 -9.366076 - polarizability tensor 4.528425 1.917552 0.356759 1.444129 6.305470 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.869553 34.420079 -3.741501 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821479 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.427576 40.081745 -9.323370 - polarizability tensor 5.676900 -5.144008 -0.727143 -3.339388 4.987141 -0.427749 -0.708036 -0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.929540 41.344499 -3.518027 - polarizability tensor 2.014660 1.411523 2.754674 0.096191 2.864916 1.368380 1.742511 2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 39.120930 35.629743 -5.104353 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.658932 37.930602 -8.960653 - polarizability tensor 2.247827 -1.783499 0.065362 -1.149026 2.379898 0.043699 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.289127 33.134376 -9.191250 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.007603 38.172057 -8.341383 - polarizability tensor 5.018070 4.875224 1.088491 1.811907 4.579783 0.228245 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.636045 34.107816 -8.426620 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.597390 39.327098 -5.001023 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.698218 35.718149 -8.571017 - polarizability tensor 3.009104 -0.265453 0.164854 -0.392052 2.422903 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.270342 37.054401 -5.605872 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522052 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.762115 36.809204 -8.185563 - polarizability tensor 13.654114 -2.638427 1.355101 -2.419218 4.125882 0.076557 2.653090 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.022891 35.489670 -9.184184 - polarizability tensor 2.960546 0.866100 0.523975 1.061801 5.117295 0.710667 0.733477 0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 36.163218 38.954584 -6.970755 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.964864 36.924806 -9.317312 - polarizability tensor 12.949895 -2.646494 1.785361 -2.381880 4.179640 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.768649 34.968190 -7.050146 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.168344 37.437172 -6.305081 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460098 13.263287 0.923067 0.789240 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.010102 41.165436 -8.860735 - polarizability tensor 2.586919 -0.528104 -0.018359 -0.362648 2.294263 -0.043707 0.109841 -0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 42.125865 34.474811 -2.419398 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.771470 42.115072 -2.093938 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.545198 33.787692 -10.282389 - polarizability tensor 8.609790 3.161438 4.330874 3.390209 5.869742 2.969759 2.433190 1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.406252 32.867403 -7.800976 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.530507 31.920762 -9.077616 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.681815 39.467504 -9.040202 - polarizability tensor 3.548722 -1.577098 0.269187 -2.005619 4.318440 0.319352 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 41.202868 35.372942 -3.727272 - polarizability tensor 5.713597 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.454513 40.264096 -7.674965 - polarizability tensor 6.533271 0.444460 1.547290 -1.225663 5.733018 0.256666 1.271657 0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 40.499436 35.098443 -3.083473 - polarizability tensor 6.707221 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.100077 40.572576 -2.885267 - polarizability tensor 1.169671 1.724727 0.923947 2.191905 7.141823 4.969365 0.687892 2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.265668 39.914196 -8.356897 - polarizability tensor 5.399126 -5.564498 0.213556 -4.017191 5.082747 0.297192 1.393777 -0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 35.474033 39.674872 -8.922442 - polarizability tensor 10.702598 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 37.732137 34.028681 -9.020010 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.197023 33.594532 -8.719786 - polarizability tensor 9.556647 3.699450 -1.931270 3.986422 6.261107 -1.285638 0.992071 0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.039977 33.431441 -8.339860 - polarizability tensor 4.541349 2.067478 1.036870 1.580946 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 38.834866 40.896674 -3.470143 - polarizability tensor 2.204025 0.653491 0.327503 1.701255 5.540977 4.544585 0.766864 3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 59 - Polarizability point coords 27.518009 39.918784 -2.091759 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444129 6.305470 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000190 0.001478 0.000503 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.873905 40.806314 -7.716334 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821479 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000264 0.000270 0.000245 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.315882 46.467980 -2.134465 - polarizability tensor 5.676900 5.144008 -0.727143 3.339388 4.987141 0.427749 -0.708036 0.509155 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.004129 -0.000390 0.003012 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.813919 47.730734 -7.939808 - polarizability tensor 2.014660 -1.411523 2.754674 -0.096191 2.864916 -1.368380 1.742511 -2.324061 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000336 0.000150 0.000777 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.622529 42.015978 -6.353482 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000392 0.000402 0.000401 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.084527 44.316837 -2.497182 - polarizability tensor 2.247827 1.783499 0.065362 1.149026 2.379898 -0.043699 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.002166 0.001921 0.003073 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.454331 39.520611 -2.266585 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000212 0.001329 0.000455 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.735855 44.558292 -3.116452 - polarizability tensor 5.018070 -4.875224 1.088491 -1.811907 4.579783 -0.228245 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.001156 0.001597 0.002707 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.107413 40.494051 -3.031215 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000512 0.001069 0.000509 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.146068 45.713333 -6.456812 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000511 0.000340 0.000852 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.045240 42.104384 -2.886817 - polarizability tensor 3.009104 0.265453 0.164854 0.392052 2.422903 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000529 0.001763 0.001340 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.473116 43.440636 -5.851963 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522052 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000508 0.000526 0.000735 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.981343 43.195439 -3.272272 - polarizability tensor 13.654114 2.638427 1.355101 2.419218 4.125882 -0.076557 2.653090 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000247 0.001879 0.002248 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.720568 41.875905 -2.273651 - polarizability tensor 2.960546 -0.866100 0.523975 -1.061801 5.117295 -0.710667 0.733477 -0.805591 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000940 0.001945 0.001259 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.580241 45.340819 -4.487080 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000910 0.000637 0.001405 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.778595 43.311041 -2.140523 - polarizability tensor 12.949895 2.646494 1.785361 2.381880 4.179640 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000054 0.003081 0.002904 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.974810 41.354425 -4.407688 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000527 0.000657 0.000452 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.575114 43.823407 -5.152754 - polarizability tensor 4.688603 4.661424 1.698768 4.460098 13.263287 -0.923067 0.789240 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000644 0.000528 0.000665 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.733356 47.551671 -2.597100 - polarizability tensor 2.586919 0.528104 -0.018359 0.362648 2.294263 0.043707 0.109841 0.127145 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.002728 -0.001346 0.000673 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.617594 40.861046 -9.038437 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000215 0.000199 0.000204 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.971988 48.501307 -9.363896 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000252 0.000081 0.000609 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.198261 40.173927 -1.175445 - polarizability tensor 8.609790 -3.161438 4.330874 -3.390209 5.869742 -2.969759 2.433190 -1.740004 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000705 0.001554 0.000336 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.337207 39.253638 -3.656858 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000380 0.000657 0.000250 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.212952 38.306997 -2.380219 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000002 0.001016 0.000255 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.061644 45.853739 -2.417633 - polarizability tensor 3.548722 1.577098 0.269187 2.005619 4.318440 -0.319352 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.003104 -0.000093 0.001768 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.540590 41.759177 -7.730563 - polarizability tensor 5.713597 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000291 0.000258 0.000264 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.288946 46.650331 -3.782870 - polarizability tensor 6.533271 -0.444460 1.547290 1.225663 5.733018 -0.256666 1.271657 -0.143979 4.406063 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.001053 0.000407 0.002736 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.244023 41.484678 -8.374362 - polarizability tensor 6.707221 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000255 0.000255 0.000285 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.643382 46.958811 -8.572568 - polarizability tensor 1.169671 -1.724727 0.923947 -2.191905 7.141823 -4.969365 0.687892 -2.528024 4.381745 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000292 0.000161 0.000674 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.477790 46.300431 -3.100937 - polarizability tensor 5.399126 5.564498 0.213556 4.017191 5.082747 -0.297192 1.393777 0.829069 1.929016 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.002679 -0.000265 0.002145 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.269426 46.061107 -2.535393 - polarizability tensor 10.702598 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841633 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.002173 0.000907 0.002467 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.011321 40.414916 -2.437825 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000604 0.000812 0.000234 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.546435 39.980766 -2.738048 - polarizability tensor 9.556647 -3.699450 -1.931270 -3.986422 6.261107 1.285638 0.992071 -0.390991 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000572 0.001075 0.000490 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.703482 39.817676 -3.117975 - polarizability tensor 4.541349 -2.067478 1.036870 -1.580946 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000101 0.001208 0.000579 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.908592 47.282909 -7.987692 - polarizability tensor 2.204025 -0.653491 0.327503 -1.701255 5.540977 -4.544585 0.766864 -3.846191 4.089134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000370 0.000173 0.000665 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 60 - Polarizability point coords 3.583608 40.916670 31.486687 - polarizability tensor 3.009105 -0.265453 0.164853 -0.392052 2.422902 0.078853 0.571862 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000502 -0.006235 0.000930 - conjugated induced dipole 0.002419 -0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.921042 41.261877 26.642941 - polarizability tensor 5.713598 -1.433757 3.432519 -2.871856 2.858068 -3.181669 3.126667 -2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017774 -0.011888 0.014683 - conjugated induced dipole 0.014358 -0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.854169 36.553007 32.238939 - polarizability tensor 5.676609 -5.143128 -0.727177 -3.338725 4.986789 -0.427733 -0.708051 -0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.063346 0.043899 0.005721 - conjugated induced dipole -0.055842 0.056799 0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.553040 35.738146 26.385811 - polarizability tensor 2.204027 0.653491 0.327508 1.701250 5.540969 4.544579 0.766866 3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.003843 0.029042 0.022595 - conjugated induced dipole 0.008031 0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.886518 39.197647 29.220750 - polarizability tensor 4.688603 -4.661424 1.698768 -4.460099 13.263287 0.923067 0.789241 0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013189 -0.004500 0.010285 - conjugated induced dipole 0.010329 -0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.241850 43.203379 31.255529 - polarizability tensor 4.541349 2.067479 1.036870 1.580947 6.187412 0.395977 1.497097 1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.002879 -0.021657 -0.001455 - conjugated induced dipole 0.001239 -0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.084803 43.040288 31.635455 - polarizability tensor 9.556651 3.699453 -1.931270 3.986424 6.261104 -1.285638 0.992072 0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.024576 0.025280 -0.002707 - conjugated induced dipole 0.021953 0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.274223 38.462762 31.257052 - polarizability tensor 5.018070 4.875224 1.088490 1.811907 4.579783 0.228246 1.487331 1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004785 -0.002957 0.007603 - conjugated induced dipole 0.011858 0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.645781 42.527003 31.342289 - polarizability tensor 9.182809 -1.751289 0.995507 -0.084241 1.828485 0.387734 2.027091 0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.026692 -0.007223 0.008401 - conjugated induced dipole 0.024722 -0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.839103 41.005076 28.020022 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536300 1.326287 -0.648853 1.549497 -0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008021 -0.001430 0.006467 - conjugated induced dipole 0.006680 -0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.622894 38.704217 31.876322 - polarizability tensor 2.247827 -1.783499 0.065361 -1.149027 2.379897 0.043700 0.251240 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009459 0.003713 0.000482 - conjugated induced dipole -0.009703 0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.315564 37.307721 27.916692 - polarizability tensor 1.671052 0.572015 1.296470 0.542823 2.162528 1.769889 1.031020 1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007350 0.008201 0.009724 - conjugated induced dipole 0.006616 0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.316963 39.710013 32.232981 - polarizability tensor 12.949892 -2.646493 1.785361 -2.381878 4.179639 -0.329227 2.420661 -0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.032580 -0.005385 0.002398 - conjugated induced dipole -0.029267 -0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.258936 41.145150 32.099853 - polarizability tensor 2.960547 0.866099 0.523974 1.061800 5.117296 0.710667 0.733476 0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009130 -0.008630 -0.003112 - conjugated induced dipole -0.008989 -0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.486822 41.666630 29.965816 - polarizability tensor 3.040419 1.393147 2.596748 0.925312 4.759663 3.665079 1.764103 3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.007992 0.001162 0.007068 - conjugated induced dipole 0.007504 0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.519711 39.825616 31.101232 - polarizability tensor 13.654121 -2.638432 1.355102 -2.419222 4.125885 0.076557 2.653091 -0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.021085 -0.001460 0.001599 - conjugated induced dipole -0.016161 -0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.118609 37.680236 29.886424 - polarizability tensor 5.617929 -1.381556 4.877275 -1.251782 2.735771 -1.290946 3.659515 -1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.033173 -0.007600 0.027393 - conjugated induced dipole 0.028333 -0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 0.011484 39.580418 28.521541 - polarizability tensor 5.263033 -4.454326 1.663068 -4.279630 13.403262 0.812802 1.522053 0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.013634 -0.005736 0.010955 - conjugated induced dipole 0.012784 -0.003818 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.271724 35.469384 31.776405 - polarizability tensor 2.586920 -0.528104 -0.018356 -0.362648 2.294262 -0.043710 0.109842 -0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008720 0.015807 -0.002368 - conjugated induced dipole -0.007606 0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -4.844038 42.160009 25.335067 - polarizability tensor 2.625149 -0.213208 0.424934 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.001749 0.004775 0.016411 - conjugated induced dipole -0.000061 0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -1.489644 34.519747 25.009608 - polarizability tensor 2.080856 0.280706 0.149351 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000865 0.016467 0.014862 - conjugated induced dipole 0.000106 0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.992699 43.500443 32.106919 - polarizability tensor 5.239487 -1.239562 0.807463 -0.101562 1.234381 0.089842 1.195630 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.004462 -0.001746 0.000735 - conjugated induced dipole 0.002994 -0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.751320 44.714057 31.993285 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321946 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.006347 -0.016593 0.000811 - conjugated induced dipole 0.007353 -0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.450311 42.606138 31.935679 - polarizability tensor 8.115954 0.753025 -0.167709 1.550834 6.978557 4.365403 0.764814 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.016570 -0.009874 0.021011 - conjugated induced dipole 0.018333 -0.019255 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.016264 36.720714 31.272526 - polarizability tensor 5.399445 -5.565178 0.213249 -4.017735 5.083162 0.297002 1.393566 -0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.046958 0.039179 -0.007441 - conjugated induced dipole -0.039937 0.045846 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.217610 41.536376 25.999142 - polarizability tensor 6.707220 -2.929003 4.115171 -3.681836 2.332217 -2.837644 2.110815 -1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.028024 -0.017077 0.022943 - conjugated induced dipole 0.015224 -0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 1.807794 36.959947 31.838111 - polarizability tensor 10.702599 1.789310 3.005772 -0.514552 5.742470 -3.210322 2.108865 -0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.068050 -0.015625 0.045166 - conjugated induced dipole 0.061942 0.008873 0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -3.587727 42.214740 26.657170 - polarizability tensor 3.614272 -1.113334 2.917217 -0.029794 1.821480 0.641371 2.940226 -0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.011763 0.007583 0.014002 - conjugated induced dipole 0.015109 0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.647714 35.290320 26.433697 - polarizability tensor 2.014656 1.411523 2.754673 0.096192 2.864919 1.368379 1.742512 2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.017229 0.015360 0.023246 - conjugated induced dipole 0.008731 0.020510 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.599988 37.167293 31.956012 - polarizability tensor 3.548688 -1.577294 0.269528 -2.005736 4.318376 0.319527 0.418353 0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.020830 0.022726 -0.000901 - conjugated induced dipole -0.022286 0.021511 0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 2.827314 36.370723 30.590634 - polarizability tensor 6.533271 0.444460 1.547290 -1.225664 5.733018 0.256666 1.271657 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.031823 -0.013065 0.031206 - conjugated induced dipole 0.032768 -0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.124425 43.767417 30.716646 - polarizability tensor 5.800146 -0.752294 1.186095 0.172146 7.005037 0.548344 0.964192 0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.010155 -0.041713 0.001546 - conjugated induced dipole 0.005860 -0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.736629 42.847127 33.198059 - polarizability tensor 8.609786 3.161435 4.330874 3.390207 5.869744 2.969760 2.433189 1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.025817 -0.011418 -0.033335 - conjugated induced dipole -0.014981 -0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.056377 43.102270 32.281745 - polarizability tensor 4.528425 1.917552 0.356759 1.444128 6.305469 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.012761 -0.031001 0.001118 - conjugated induced dipole -0.007779 -0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords -0.818249 36.062243 25.800936 - polarizability tensor 1.169672 1.724727 0.923943 2.191908 7.141829 4.969372 0.687890 2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009280 0.038168 0.020381 - conjugated induced dipole 0.010164 0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 61 - Polarizability point coords 10.236586 34.530435 25.802487 - polarizability tensor 3.009105 0.265453 0.164853 0.392052 2.422902 -0.078853 0.571862 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 -0.006235 -0.000930 - conjugated induced dipole -0.002419 -0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.741236 34.875642 30.646232 - polarizability tensor 5.713598 1.433757 3.432519 2.871856 2.858068 3.181669 3.126667 2.101011 3.557632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 -0.011888 -0.014683 - conjugated induced dipole -0.014358 -0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.966026 30.166772 25.050235 - polarizability tensor 5.676609 5.143128 -0.727177 3.338725 4.986789 0.427733 -0.708051 0.509177 1.316187 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063346 0.043899 -0.005721 - conjugated induced dipole 0.055842 0.056799 -0.006258 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.373234 29.351911 30.903362 - polarizability tensor 2.204027 -0.653491 0.327508 -1.701250 5.540969 -4.544579 0.766866 -3.846188 4.089130 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 0.029042 -0.022595 - conjugated induced dipole -0.008031 0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.706712 32.811412 28.068423 - polarizability tensor 4.688603 4.661424 1.698768 4.460099 13.263287 -0.923067 0.789241 -0.637256 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 -0.004500 -0.010285 - conjugated induced dipole -0.010329 -0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.578345 36.817144 26.033644 - polarizability tensor 4.541349 -2.067479 1.036870 -1.580947 6.187412 -0.395977 1.497097 -1.619860 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 -0.021657 0.001455 - conjugated induced dipole -0.001239 -0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 5.735392 36.654053 25.653718 - polarizability tensor 9.556651 -3.699453 -1.931270 -3.986424 6.261104 1.285638 0.992072 -0.390991 3.653717 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 0.025280 0.002707 - conjugated induced dipole -0.021953 0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.545971 32.076527 26.032121 - polarizability tensor 5.018070 -4.875224 1.088490 -1.811907 4.579783 -0.228246 1.487331 -1.273638 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 -0.002957 -0.007603 - conjugated induced dipole -0.011858 0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.174413 36.140768 25.946884 - polarizability tensor 9.182809 1.751289 0.995507 0.084241 1.828485 -0.387734 2.027091 -0.151003 1.358652 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 -0.007223 -0.008401 - conjugated induced dipole -0.024722 -0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.659298 34.618841 29.269151 - polarizability tensor 2.644773 0.420648 2.214495 0.536300 1.326287 0.648853 1.549497 0.193715 2.182353 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 -0.001430 -0.006467 - conjugated induced dipole -0.006680 -0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.197300 32.317982 25.412851 - polarizability tensor 2.247827 1.783499 0.065361 1.149027 2.379897 -0.043700 0.251240 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 0.003713 -0.000482 - conjugated induced dipole 0.009703 0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.135758 30.921486 29.372481 - polarizability tensor 1.671052 -0.572015 1.296470 -0.542823 2.162528 -1.769889 1.031020 -1.217469 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 0.008201 -0.009724 - conjugated induced dipole -0.006616 0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.503232 33.323778 25.056192 - polarizability tensor 12.949892 2.646493 1.785361 2.381878 4.179639 0.329227 2.420661 0.349589 2.038970 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 -0.005385 -0.002398 - conjugated induced dipole 0.029267 -0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.561259 34.758915 25.189320 - polarizability tensor 2.960547 -0.866099 0.523974 -1.061800 5.117296 -0.710667 0.733476 -0.805592 0.872851 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 -0.008630 0.003112 - conjugated induced dipole 0.008989 -0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.307017 35.280395 27.323358 - polarizability tensor 3.040419 -1.393147 2.596748 -0.925312 4.759663 -3.665079 1.764103 -3.380562 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 0.001162 -0.007068 - conjugated induced dipole -0.007504 0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 8.300483 33.439381 26.187941 - polarizability tensor 13.654121 2.638432 1.355102 2.419222 4.125885 -0.076557 2.653091 0.028380 1.982134 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 -0.001460 -0.001599 - conjugated induced dipole 0.016161 -0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.701586 31.294001 27.402749 - polarizability tensor 5.617929 1.381556 4.877275 1.251782 2.735771 1.290946 3.659515 1.340506 4.675346 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 -0.007600 -0.027393 - conjugated induced dipole -0.028333 -0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.808710 33.194183 28.767632 - polarizability tensor 5.263033 4.454326 1.663068 4.279630 13.403262 -0.812802 1.522053 -0.962357 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 -0.005736 -0.010955 - conjugated induced dipole -0.012784 -0.003818 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 3.548470 29.083149 25.512769 - polarizability tensor 2.586920 0.528104 -0.018356 0.362648 2.294262 0.043710 0.109842 0.127147 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 0.015807 0.002368 - conjugated induced dipole 0.007606 0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.664233 35.773774 31.954106 - polarizability tensor 2.625149 0.213208 0.424934 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 0.004775 -0.016411 - conjugated induced dipole 0.000061 0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.309838 28.133512 32.279566 - polarizability tensor 2.080856 -0.280706 0.149351 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 0.016467 -0.014862 - conjugated induced dipole -0.000106 0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 7.827495 37.114208 25.182254 - polarizability tensor 5.239487 1.239562 0.807463 0.101562 1.234381 -0.089842 1.195630 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 -0.001746 -0.000735 - conjugated induced dipole -0.002994 -0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.068875 38.327822 25.295888 - polarizability tensor 2.238895 0.092051 0.189597 0.321946 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 -0.016593 -0.000811 - conjugated induced dipole -0.007353 -0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.270505 36.219903 25.353494 - polarizability tensor 8.115954 -0.753025 -0.167709 -1.550834 6.978557 -4.365403 0.764814 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 -0.009874 -0.021011 - conjugated induced dipole -0.018333 -0.019255 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.803931 30.334479 26.016647 - polarizability tensor 5.399445 5.565178 0.213249 4.017735 5.083162 -0.297002 1.393566 0.829409 1.929269 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046958 0.039179 0.007441 - conjugated induced dipole 0.039937 0.045846 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.037804 35.150141 31.290032 - polarizability tensor 6.707220 2.929003 4.115171 3.681836 2.332217 2.837644 2.110815 1.078365 3.917898 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 -0.017077 -0.022943 - conjugated induced dipole -0.015224 -0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.012401 30.573712 25.451063 - polarizability tensor 10.702599 -1.789310 3.005772 0.514552 5.742470 3.210322 2.108865 0.722699 6.841632 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 -0.015625 -0.045166 - conjugated induced dipole -0.061942 0.008873 -0.047522 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.407921 35.828505 30.632003 - polarizability tensor 3.614272 1.113334 2.917217 0.029794 1.821480 -0.641371 2.940226 0.379588 3.227902 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 0.007583 -0.014002 - conjugated induced dipole -0.015109 0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.467909 28.904085 30.855477 - polarizability tensor 2.014656 -1.411523 2.754673 -0.096192 2.864919 -1.368379 1.742512 -2.324060 3.622595 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 0.015360 -0.023246 - conjugated induced dipole -0.008731 0.020510 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 4.220207 30.781058 25.333161 - polarizability tensor 3.548688 1.577294 0.269528 2.005736 4.318376 -0.319527 0.418353 -0.222258 0.439519 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020830 0.022726 0.000901 - conjugated induced dipole 0.022286 0.021511 -0.000192 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.992881 29.984488 26.698539 - polarizability tensor 6.533271 -0.444460 1.547290 1.225664 5.733018 -0.256666 1.271657 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 -0.013065 -0.031206 - conjugated induced dipole -0.032768 -0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.944620 37.381182 26.572528 - polarizability tensor 5.800146 0.752294 1.186095 -0.172146 7.005037 -0.548344 0.964192 -0.894649 4.417055 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 -0.041713 -0.001546 - conjugated induced dipole -0.005860 -0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 6.083565 36.460892 24.091115 - polarizability tensor 8.609786 -3.161435 4.330874 -3.390207 5.869744 -2.969760 2.433189 -1.740004 6.358298 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 -0.011418 0.033335 - conjugated induced dipole 0.014981 -0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 9.763817 36.716035 25.007429 - polarizability tensor 4.528425 -1.917552 0.356759 -1.444128 6.305469 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 -0.031001 -0.001118 - conjugated induced dipole 0.007779 -0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.638444 29.676008 31.488237 - polarizability tensor 1.169672 -1.724727 0.923943 -2.191908 7.141829 -4.969372 0.687890 -2.528027 4.381746 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 0.038168 -0.020381 - conjugated induced dipole -0.010164 0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 62 - Polarizability point coords 25.144779 33.532549 13.549594 - polarizability tensor 4.528424 1.917551 0.356759 1.444128 6.305472 0.945064 0.689806 0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.012761 0.031001 -0.001118 - conjugated induced dipole 0.007779 0.029252 -0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.788882 34.420082 19.174170 - polarizability tensor 3.614271 -1.113333 2.917217 -0.029793 1.821479 0.641372 2.940226 -0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.011763 -0.007583 -0.014002 - conjugated induced dipole -0.015109 -0.002583 -0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.346903 40.081742 13.592298 - polarizability tensor 5.676904 -5.144008 -0.727141 -3.339388 4.987137 -0.427750 -0.708035 -0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.063351 -0.043904 -0.005722 - conjugated induced dipole 0.055846 -0.056805 -0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.848865 41.344500 19.397643 - polarizability tensor 2.014659 1.411522 2.754673 0.096191 2.864917 1.368381 1.742510 2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017229 -0.015360 -0.023246 - conjugated induced dipole -0.008731 -0.020509 -0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 31.040258 35.629745 17.811318 - polarizability tensor 2.644773 -0.420648 2.214495 -0.536299 1.326286 -0.648852 1.549497 -0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.008021 0.001430 -0.006467 - conjugated induced dipole -0.006680 0.000245 -0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.578260 37.930600 13.955016 - polarizability tensor 2.247828 -1.783499 0.065363 -1.149026 2.379896 0.043699 0.251241 -0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009459 -0.003713 -0.000482 - conjugated induced dipole 0.009703 -0.006827 -0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.208458 33.134375 13.724420 - polarizability tensor 5.239487 -1.239561 0.807464 -0.101560 1.234380 0.089842 1.195631 -0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004462 0.001746 -0.000735 - conjugated induced dipole -0.002995 0.001829 -0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.926931 38.172057 14.574286 - polarizability tensor 5.018067 4.875224 1.088491 1.811907 4.579786 0.228246 1.487331 1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.004785 0.002957 -0.007603 - conjugated induced dipole -0.011858 -0.007327 -0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.555375 34.107816 14.489050 - polarizability tensor 9.182809 -1.751286 0.995508 -0.084237 1.828484 0.387734 2.027093 0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.026692 0.007223 -0.008401 - conjugated induced dipole -0.024722 0.010399 -0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.516717 39.327100 17.914647 - polarizability tensor 1.671051 0.572015 1.296469 0.542823 2.162529 1.769890 1.031019 1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007350 -0.008201 -0.009724 - conjugated induced dipole -0.006616 -0.006977 -0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.617547 35.718149 14.344652 - polarizability tensor 3.009105 -0.265453 0.164855 -0.392052 2.422902 0.078852 0.571863 0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.000502 0.006235 -0.000930 - conjugated induced dipole -0.002419 0.004872 -0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.189670 37.054402 17.309798 - polarizability tensor 5.263037 -4.454329 1.663069 -4.279634 13.403258 0.812801 1.522053 0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013634 0.005736 -0.010955 - conjugated induced dipole -0.012784 0.003817 -0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.681444 36.809202 14.730106 - polarizability tensor 13.654116 -2.638423 1.355104 -2.419214 4.125879 0.076557 2.653092 -0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.021085 0.001460 -0.001599 - conjugated induced dipole 0.016161 0.000422 -0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.942220 35.489667 13.731485 - polarizability tensor 2.960545 0.866099 0.523975 1.061800 5.117296 0.710667 0.733477 0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.009130 0.008630 0.003112 - conjugated induced dipole 0.008989 0.006449 0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 28.082545 38.954584 15.944915 - polarizability tensor 5.617929 -1.381554 4.877276 -1.251780 2.735770 -1.290944 3.659516 -1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.033173 0.007600 -0.027393 - conjugated induced dipole -0.028333 0.007801 -0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.884192 36.924805 13.598357 - polarizability tensor 12.949896 -2.646490 1.785363 -2.381876 4.179637 -0.329227 2.420663 -0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.032580 0.005385 -0.002398 - conjugated induced dipole 0.029267 0.003579 -0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.687978 34.968191 15.865524 - polarizability tensor 3.040417 1.393146 2.596746 0.925311 4.759664 3.665080 1.764101 3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.007992 -0.001162 -0.007068 - conjugated induced dipole -0.007504 -0.002361 -0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.087672 37.437174 16.610589 - polarizability tensor 4.688607 -4.661428 1.698768 -4.460102 13.263283 0.923066 0.789241 0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.013189 0.004500 -0.010285 - conjugated induced dipole -0.010329 0.004071 -0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.929429 41.165432 14.054933 - polarizability tensor 2.586920 -0.528103 -0.018359 -0.362647 2.294262 -0.043707 0.109841 -0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.008720 -0.015807 0.002368 - conjugated induced dipole 0.007606 -0.016649 0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 34.045193 34.474814 20.496273 - polarizability tensor 2.625149 -0.213208 0.424935 -0.290491 2.062088 -0.300099 0.213958 -0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.001749 -0.004775 -0.016411 - conjugated induced dipole 0.000061 -0.005522 -0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.690795 42.115074 20.821732 - polarizability tensor 2.080856 0.280706 0.149350 0.281580 2.472366 0.452260 0.036613 0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.000865 -0.016467 -0.014861 - conjugated induced dipole -0.000106 -0.015979 -0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.464528 33.787690 12.633279 - polarizability tensor 8.609786 3.161439 4.330873 3.390210 5.869745 2.969762 2.433189 1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.025817 0.011418 0.033335 - conjugated induced dipole 0.014981 0.002807 0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.325582 32.867404 15.114694 - polarizability tensor 5.800146 -0.752295 1.186095 0.172145 7.005037 0.548345 0.964192 0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.010155 0.041713 -0.001546 - conjugated induced dipole -0.005860 0.039807 -0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.449837 31.920761 13.838054 - polarizability tensor 2.238895 -0.092051 0.189597 -0.321947 3.412539 0.098788 0.254757 0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.006347 0.016593 -0.000811 - conjugated induced dipole -0.007353 0.013869 -0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.601142 39.467501 13.875466 - polarizability tensor 3.548724 -1.577098 0.269188 -2.005619 4.318439 0.319351 0.418130 0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.020829 -0.022725 0.000901 - conjugated induced dipole 0.022286 -0.021510 -0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 33.122196 35.372946 19.188399 - polarizability tensor 5.713598 -1.433755 3.432521 -2.871854 2.858065 -3.181668 3.126669 -2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.017774 0.011888 -0.014683 - conjugated induced dipole -0.014358 0.005896 -0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 26.373840 40.264096 15.240704 - polarizability tensor 6.533271 0.444461 1.547291 -1.225663 5.733017 0.256666 1.271658 0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.031823 0.013065 -0.031206 - conjugated induced dipole -0.032768 0.007049 -0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 32.418764 35.098446 19.832198 - polarizability tensor 6.707222 -2.929001 4.115173 -3.681834 2.332214 -2.837643 2.110817 -1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.028024 0.017077 -0.022943 - conjugated induced dipole -0.015224 0.006010 -0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.019403 40.572578 20.030403 - polarizability tensor 1.169669 1.724724 0.923944 2.191901 7.141826 4.969366 0.687890 2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.009280 -0.038168 -0.020381 - conjugated induced dipole -0.010164 -0.031452 -0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.184995 39.914193 14.558771 - polarizability tensor 5.399130 -5.564497 0.213557 -4.017191 5.082742 0.297191 1.393778 -0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.046956 -0.039177 0.007441 - conjugated induced dipole 0.039935 -0.045844 -0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 27.393360 39.674873 13.993228 - polarizability tensor 10.702596 1.789313 3.005774 -0.514549 5.742470 -3.210321 2.108866 -0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.068050 0.015625 -0.045166 - conjugated induced dipole -0.061942 -0.008873 -0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 29.651467 34.028682 13.895660 - polarizability tensor 8.115953 0.753025 -0.167711 1.550833 6.978558 4.365403 0.764813 2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.016570 0.009874 -0.021011 - conjugated induced dipole -0.018333 0.019256 -0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.116353 33.594529 14.195882 - polarizability tensor 9.556643 3.699452 -1.931269 3.986424 6.261110 -1.285638 0.992072 0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.024576 -0.025280 0.002707 - conjugated induced dipole -0.021953 -0.024514 0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.959306 33.431440 14.575810 - polarizability tensor 4.541347 2.067477 1.036870 1.580945 6.187413 0.395977 1.497097 1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole 0.002879 0.021657 0.001455 - conjugated induced dipole -0.001239 0.015466 -0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 30.754192 40.896676 19.445527 - polarizability tensor 2.204024 0.653489 0.327501 1.701252 5.540979 4.544585 0.766862 3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field 0.000000 0.000000 0.000000 - induced dipole -0.003843 -0.029042 -0.022595 - conjugated induced dipole -0.008031 -0.026943 -0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - -Fragment 63 - Polarizability point coords 19.437335 39.918783 20.823910 - polarizability tensor 4.528424 -1.917551 0.356759 -1.444128 6.305472 -0.945064 0.689806 -0.619686 1.472952 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000004 -0.000000 - induced dipole -0.012761 0.031001 0.001118 - conjugated induced dipole -0.007779 0.029252 0.000281 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.793233 40.806317 15.199334 - polarizability tensor 3.614271 1.113333 2.917217 0.029793 1.821479 -0.641372 2.940226 0.379587 3.227903 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000001 -0.000003 - induced dipole 0.011763 -0.007583 0.014002 - conjugated induced dipole 0.015109 -0.002583 0.017046 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.235211 46.467977 20.781206 - polarizability tensor 5.676904 5.144008 -0.727141 3.339388 4.987137 0.427750 -0.708035 0.509157 1.316657 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000008 -0.000006 0.000006 - induced dipole -0.063351 -0.043904 0.005722 - conjugated induced dipole -0.055846 -0.056805 0.006259 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.733249 47.730735 14.975861 - polarizability tensor 2.014659 -1.411522 2.754673 -0.096191 2.864917 -1.368381 1.742510 -2.324062 3.622593 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 -0.000002 -0.000004 - induced dipole 0.017229 -0.015360 0.023246 - conjugated induced dipole 0.008731 -0.020509 0.020878 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.541856 42.015980 16.562186 - polarizability tensor 2.644773 0.420648 2.214495 0.536299 1.326286 0.648852 1.549497 0.193714 2.182354 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000002 -0.000003 - induced dipole 0.008021 0.001430 0.006467 - conjugated induced dipole 0.006680 0.000245 0.007225 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.003855 44.316835 20.418488 - polarizability tensor 2.247828 1.783499 0.065363 1.149026 2.379896 -0.043699 0.251241 0.157820 0.623217 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000007 -0.000006 0.000003 - induced dipole -0.009459 -0.003713 0.000482 - conjugated induced dipole -0.009703 -0.006827 0.001297 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 21.373657 39.520610 20.649084 - polarizability tensor 5.239487 1.239561 0.807464 0.101560 1.234380 -0.089842 1.195631 0.143640 0.549530 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000004 -0.000000 - induced dipole 0.004462 0.001746 0.000735 - conjugated induced dipole 0.002995 0.001829 0.000320 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.655183 44.558292 19.799218 - polarizability tensor 5.018067 -4.875224 1.088491 -1.811907 4.579786 -0.228246 1.487331 -1.273639 1.260418 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 -0.000004 0.000000 - induced dipole 0.004785 0.002957 0.007603 - conjugated induced dipole 0.011858 -0.007327 0.008705 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.026740 40.494051 19.884454 - polarizability tensor 9.182809 1.751286 0.995508 0.084237 1.828484 -0.387734 2.027093 -0.151004 1.358653 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000003 -0.000001 - induced dipole 0.026692 0.007223 0.008401 - conjugated induced dipole 0.024722 0.010399 0.005993 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.065398 45.713335 16.458857 - polarizability tensor 1.671051 -0.572015 1.296469 -0.542823 2.162529 -1.769890 1.031019 -1.217470 2.355788 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000002 -0.000003 - induced dipole 0.007350 -0.008201 0.009724 - conjugated induced dipole 0.006616 -0.006977 0.011000 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.964567 42.104384 20.028852 - polarizability tensor 3.009105 0.265453 0.164855 0.392052 2.422902 -0.078852 0.571863 -0.205879 0.338965 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000004 -0.000000 - induced dipole -0.000502 0.006235 0.000930 - conjugated induced dipole 0.002419 0.004872 0.001639 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.392445 43.440637 17.063706 - polarizability tensor 5.263037 4.454329 1.663069 4.279634 13.403258 -0.812801 1.522053 -0.962356 3.293630 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000003 -0.000003 - induced dipole 0.013634 0.005736 0.010955 - conjugated induced dipole 0.012784 0.003817 0.011435 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.900671 43.195437 19.643398 - polarizability tensor 13.654116 2.638423 1.355104 2.419214 4.125879 -0.076557 2.653092 0.028379 1.982135 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 -0.000005 0.000001 - induced dipole -0.021085 0.001460 0.001599 - conjugated induced dipole -0.016161 0.000422 0.004574 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 22.639895 41.875902 20.642019 - polarizability tensor 2.960545 -0.866099 0.523975 -1.061800 5.117296 -0.710667 0.733477 -0.805592 0.872852 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000006 0.000001 - induced dipole -0.009130 0.008630 -0.003112 - conjugated induced dipole -0.008989 0.006449 -0.002117 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 16.499570 45.340819 18.428589 - polarizability tensor 5.617929 1.381554 4.877276 1.251780 2.735770 1.290944 3.659516 1.340505 4.675348 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000006 -0.000003 -0.000001 - induced dipole 0.033173 0.007600 0.027393 - conjugated induced dipole 0.028333 0.007801 0.030425 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.697922 43.311040 20.775147 - polarizability tensor 12.949896 2.646490 1.785363 2.381876 4.179637 0.329227 2.420663 0.349589 2.038971 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000005 0.000001 - induced dipole -0.032580 0.005385 0.002398 - conjugated induced dipole -0.029267 0.003579 0.004952 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.894137 41.354426 18.507980 - polarizability tensor 3.040417 -1.393146 2.596746 -0.925311 4.759664 -3.665080 1.764101 -3.380563 4.695597 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000002 -0.000002 - induced dipole 0.007992 -0.001162 0.007068 - conjugated induced dipole 0.007504 -0.002361 0.008889 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.494442 43.823409 17.762915 - polarizability tensor 4.688607 4.661428 1.698768 4.460102 13.263283 -0.923066 0.789241 -0.637255 3.260995 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000002 -0.000002 - induced dipole 0.013189 0.004500 0.010285 - conjugated induced dipole 0.010329 0.004071 0.012280 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 25.652686 47.551667 20.318571 - polarizability tensor 2.586920 0.528103 -0.018359 0.362647 2.294262 0.043707 0.109841 0.127146 2.115097 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000009 -0.000007 0.000009 - induced dipole -0.008720 -0.015807 -0.002368 - conjugated induced dipole -0.007606 -0.016649 -0.001351 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 10.536921 40.861049 13.877231 - polarizability tensor 2.625149 0.213208 0.424935 0.290491 2.062088 0.300099 0.213958 0.174819 2.321326 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000001 -0.000001 -0.000003 - induced dipole 0.001749 -0.004775 0.016411 - conjugated induced dipole -0.000061 -0.005522 0.015883 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.891319 48.501309 13.551772 - polarizability tensor 2.080856 -0.280706 0.149350 -0.281580 2.472366 -0.452260 0.036613 -0.284988 2.367319 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000001 -0.000005 - induced dipole 0.000865 -0.016467 0.014861 - conjugated induced dipole 0.000106 -0.015979 0.015390 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.117587 40.173925 21.740225 - polarizability tensor 8.609786 -3.161439 4.330873 -3.390210 5.869745 -2.969762 2.433189 -1.740006 6.358301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000005 0.000001 - induced dipole -0.025817 0.011418 -0.033335 - conjugated induced dipole -0.014981 0.002807 -0.031806 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 15.256533 39.253639 19.258810 - polarizability tensor 5.800146 0.752295 1.186095 -0.172145 7.005037 -0.548345 0.964192 -0.894649 4.417056 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000002 -0.000002 - induced dipole 0.010155 0.041713 0.001546 - conjugated induced dipole 0.005860 0.039807 0.004393 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 20.132277 38.306996 20.535450 - polarizability tensor 2.238895 0.092051 0.189597 0.321947 3.412539 -0.098788 0.254757 -0.275937 1.413877 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000004 -0.000001 - induced dipole 0.006347 0.016593 0.000811 - conjugated induced dipole 0.007353 0.013869 0.001598 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.980972 45.853736 20.498038 - polarizability tensor 3.548724 1.577098 0.269188 2.005619 4.318439 -0.319351 0.418130 -0.221895 0.439301 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000008 -0.000007 0.000006 - induced dipole -0.020829 -0.022725 -0.000901 - conjugated induced dipole -0.022286 -0.021510 0.000193 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 11.459918 41.759181 15.185105 - polarizability tensor 5.713598 1.433755 3.432521 2.871854 2.858065 3.181668 3.126669 2.101010 3.557634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000001 -0.000003 - induced dipole 0.017774 0.011888 0.014683 - conjugated induced dipole 0.014358 0.005896 0.013284 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 18.208275 46.650331 19.132800 - polarizability tensor 6.533271 -0.444461 1.547291 1.225663 5.733017 -0.256666 1.271658 -0.143979 4.406064 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000007 -0.000003 0.000000 - induced dipole 0.031823 0.013065 0.031206 - conjugated induced dipole 0.032768 0.007049 0.032022 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 12.163350 41.484681 14.541306 - polarizability tensor 6.707222 2.929001 4.115173 3.681834 2.332214 2.837643 2.110817 1.078365 3.917899 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000002 -0.000001 -0.000003 - induced dipole 0.028024 0.017077 0.022943 - conjugated induced dipole 0.015224 0.006010 0.022514 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.562712 46.958813 14.343101 - polarizability tensor 1.169669 -1.724724 0.923944 -2.191901 7.141826 -4.969366 0.687890 -2.528024 4.381744 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000002 -0.000005 - induced dipole 0.009280 -0.038168 0.020381 - conjugated induced dipole 0.010164 -0.031452 0.028358 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 24.397119 46.300428 19.814733 - polarizability tensor 5.399130 5.564497 0.213557 4.017191 5.082742 -0.297191 1.393778 0.829070 1.929017 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000009 -0.000007 0.000006 - induced dipole -0.046956 -0.039177 -0.007441 - conjugated induced dipole -0.039935 -0.045844 0.002781 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 17.188755 46.061107 20.380276 - polarizability tensor 10.702596 -1.789313 3.005774 0.514549 5.742470 3.210321 2.108866 0.722698 6.841634 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000003 0.000000 - induced dipole 0.068050 0.015625 0.045166 - conjugated induced dipole 0.061942 -0.008873 0.047523 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 14.930648 40.414917 20.477844 - polarizability tensor 8.115953 -0.753025 -0.167711 -1.550833 6.978558 -4.365403 0.764813 -2.023455 7.211682 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000003 -0.000002 -0.000001 - induced dipole 0.016570 0.009874 0.021011 - conjugated induced dipole 0.018333 0.019256 0.008873 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 23.465761 39.980764 20.177622 - polarizability tensor 9.556643 -3.699452 -1.931269 -3.986424 6.261110 1.285638 0.992072 -0.390992 3.653714 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000006 0.000001 - induced dipole 0.024576 -0.025280 -0.002707 - conjugated induced dipole 0.021953 -0.024514 -0.010846 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 19.622808 39.817675 19.797694 - polarizability tensor 4.541347 -2.067477 1.036870 -1.580945 6.187413 -0.395977 1.497097 -1.619861 1.715235 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000004 -0.000004 -0.000001 - induced dipole -0.002879 0.021657 -0.001455 - conjugated induced dipole 0.001239 0.015466 0.003342 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - Polarizability point coords 13.827923 47.282911 14.927977 - polarizability tensor 2.204024 -0.653489 0.327501 -1.701252 5.540979 -4.544585 0.766862 -3.846191 4.089133 - electric field 0.000000 0.000000 0.000000 - wf electric field 0.000000 0.000000 0.000000 - ligand electric field -0.000005 -0.000002 -0.000004 - induced dipole 0.003843 -0.029042 0.022595 - conjugated induced dipole 0.008031 -0.026943 0.024571 - old induced dipole 0.000000 0.000000 0.000000 - old conjugated induced dipole 0.000000 0.000000 0.000000 - - ------ PAIRWISE ENERGY ANALYSIS FOLLOWS ------------------ - - PAIRWISE ENERGY BETWEEN FRAGMENT 0 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 1 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -1.630227 -4.083322 1.747300 - A02C -2.612029 -2.640229 1.532541 - A03C -2.101745 -1.315079 1.494585 - A04S -0.375367 -0.925226 1.688730 - A05C 0.065186 -2.169539 2.877122 - A06C -0.448850 -3.437171 2.907680 - A07C -0.051087 -4.362802 3.904959 - A08N 0.275814 -5.148727 4.708701 - A09C 1.041864 -1.768939 3.819832 - A10N 1.891240 -1.445864 4.556150 - A11N -2.962164 -0.337877 1.285161 - A12S -4.485666 -0.969226 1.063005 - A13C -3.984638 -2.621777 1.326998 - A14C -4.874936 -3.709014 1.334031 - A15N -5.619803 -4.610043 1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0001876888 - PAIRWISE POLARIZATION ENERGY -0.0000071418 - PAIRWISE DISPERSION ENERGY -0.0003825748 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000707698 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0005066355 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 2 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 6.509027 0.703872 -4.315925 - A02C 5.527225 -0.739221 -4.530684 - A03C 6.037509 -2.064371 -4.568640 - A04S 7.763887 -2.454224 -4.374495 - A05C 8.204440 -1.209911 -3.186103 - A06C 7.690404 0.057721 -3.155545 - A07C 8.088167 0.983352 -2.158266 - A08N 8.415068 1.769277 -1.354524 - A09C 9.181118 -1.610511 -2.243393 - A10N 10.030494 -1.933586 -1.507075 - A11N 5.177090 -3.041573 -4.778064 - A12S 3.653588 -2.410224 -5.000220 - A13C 4.154616 -0.757673 -4.736227 - A14C 3.264318 0.329564 -4.729194 - A15N 2.519451 1.230593 -4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0001519675 - PAIRWISE POLARIZATION ENERGY -0.0000179945 - PAIRWISE DISPERSION ENERGY -0.0000258013 - PAIRWISE EXCHANGE REPULSION ENERGY -0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0001957633 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 3 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 1.630227 4.083322 -1.747300 - A02C 2.612029 2.640229 -1.532541 - A03C 2.101745 1.315079 -1.494585 - A04S 0.375367 0.925226 -1.688730 - A05C -0.065186 2.169539 -2.877122 - A06C 0.448850 3.437171 -2.907680 - A07C 0.051087 4.362802 -3.904959 - A08N -0.275814 5.148727 -4.708701 - A09C -1.041864 1.768939 -3.819832 - A10N -1.891240 1.445864 -4.556150 - A11N 2.962164 0.337877 -1.285161 - A12S 4.485666 0.969226 -1.063005 - A13C 3.984638 2.621777 -1.326998 - A14C 4.874936 3.709014 -1.334031 - A15N 5.619803 4.610043 -1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000107808 - PAIRWISE POLARIZATION ENERGY 0.0000024710 - PAIRWISE DISPERSION ENERGY -0.0000064007 - PAIRWISE EXCHANGE REPULSION ENERGY -0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000068511 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 4 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -10.785134 -0.703872 16.442375 - A02C -9.803332 0.739221 16.657134 - A03C -10.313616 2.064371 16.695090 - A04S -12.039994 2.454224 16.500945 - A05C -12.480547 1.209911 15.312553 - A06C -11.966511 -0.057721 15.281995 - A07C -12.364274 -0.983352 14.284716 - A08N -12.691175 -1.769277 13.480974 - A09C -13.457225 1.610511 14.369843 - A10N -14.306601 1.933586 13.633525 - A11N -9.453197 3.041573 16.904514 - A12S -7.929695 2.410224 17.126670 - A13C -8.430723 0.757673 16.862677 - A14C -7.540425 -0.329564 16.855644 - A15N -6.795558 -1.230593 16.823994 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 5 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -5.906334 -4.083322 13.873750 - A02C -6.888136 -2.640229 13.658991 - A03C -6.377852 -1.315079 13.621035 - A04S -4.651474 -0.925226 13.815180 - A05C -4.210921 -2.169539 15.003572 - A06C -4.724957 -3.437171 15.034130 - A07C -4.327194 -4.362802 16.031409 - A08N -4.000293 -5.148727 16.835151 - A09C -3.234243 -1.768939 15.946282 - A10N -2.384867 -1.445864 16.682600 - A11N -7.238271 -0.337877 13.411611 - A12S -8.761773 -0.969226 13.189455 - A13C -8.260745 -2.621777 13.453448 - A14C -9.151043 -3.709014 13.460481 - A15N -9.895910 -4.610043 13.492131 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0000059620 - PAIRWISE POLARIZATION ENERGY -0.0000019679 - PAIRWISE DISPERSION ENERGY -0.0000102120 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0000181419 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 6 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 2.232919 0.703872 7.810525 - A02C 1.251118 -0.739221 7.595766 - A03C 1.761402 -2.064371 7.557810 - A04S 3.487780 -2.454223 7.751955 - A05C 3.928333 -1.209910 8.940347 - A06C 3.414296 0.057722 8.970905 - A07C 3.812058 0.983353 9.968184 - A08N 4.138959 1.769278 10.771926 - A09C 4.905010 -1.610509 9.883058 - A10N 5.754386 -1.933584 10.619376 - A11N 0.900984 -3.041573 7.348386 - A12S -0.622518 -2.410225 7.126230 - A13C -0.121491 -0.757674 7.390223 - A14C -1.011790 0.329563 7.397255 - A15N -1.756657 1.230591 7.428905 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 7 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S -2.645880 4.083322 10.379150 - A02C -1.664079 2.640229 10.593909 - A03C -2.174363 1.315079 10.631865 - A04S -3.900741 0.925227 10.437720 - A05C -4.341294 2.169540 9.249328 - A06C -3.827257 3.437172 9.218770 - A07C -4.225019 4.362803 8.221491 - A08N -4.551920 5.148728 7.417749 - A09C -5.317971 1.768941 8.306617 - A10N -6.167347 1.445866 7.570299 - A11N -1.313945 0.337877 10.841289 - A12S 0.209557 0.969225 11.063445 - A13C -0.291470 2.621776 10.799452 - A14C 0.598829 3.709013 10.792420 - A15N 1.343696 4.610041 10.760770 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0053861477 - PAIRWISE POLARIZATION ENERGY -0.0006619368 - PAIRWISE DISPERSION ENERGY -0.0102862849 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0012961487 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0150382206 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 8 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -6.509027 6.055028 4.315925 - A02C -5.527225 7.498121 4.530684 - A03C -6.037509 8.823271 4.568640 - A04S -7.763887 9.213124 4.374495 - A05C -8.204440 7.968811 3.186103 - A06C -7.690404 6.701179 3.155545 - A07C -8.088167 5.775548 2.158266 - A08N -8.415068 4.989623 1.354524 - A09C -9.181118 8.369411 2.243393 - A10N -10.030494 8.692486 1.507075 - A11N -5.177090 9.800473 4.778064 - A12S -3.653588 9.169124 5.000220 - A13C -4.154616 7.516573 4.736227 - A14C -3.264318 6.429336 4.729194 - A15N -2.519451 5.528307 4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0052997977 - PAIRWISE POLARIZATION ENERGY -0.0004115679 - PAIRWISE DISPERSION ENERGY -0.0090620393 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0018995793 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0128738257 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 9 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -1.630227 2.675578 1.747300 - A02C -2.612029 4.118671 1.532541 - A03C -2.101745 5.443821 1.494585 - A04S -0.375367 5.833674 1.688730 - A05C 0.065186 4.589361 2.877122 - A06C -0.448850 3.321729 2.907680 - A07C -0.051087 2.396098 3.904959 - A08N 0.275814 1.610173 4.708701 - A09C 1.041864 4.989961 3.819832 - A10N 1.891240 5.313036 4.556150 - A11N -2.962164 6.421023 1.285161 - A12S -4.485666 5.789674 1.063005 - A13C -3.984638 4.137123 1.326998 - A14C -4.874936 3.049886 1.334031 - A15N -5.619803 2.148857 1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0001876888 - PAIRWISE POLARIZATION ENERGY -0.0000071418 - PAIRWISE DISPERSION ENERGY -0.0003825748 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000707698 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0005066355 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 10 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 6.509027 7.462772 -4.315925 - A02C 5.527225 6.019679 -4.530684 - A03C 6.037509 4.694529 -4.568640 - A04S 7.763887 4.304676 -4.374495 - A05C 8.204440 5.548989 -3.186103 - A06C 7.690404 6.816621 -3.155545 - A07C 8.088167 7.742252 -2.158266 - A08N 8.415068 8.528177 -1.354524 - A09C 9.181118 5.148389 -2.243393 - A10N 10.030494 4.825314 -1.507075 - A11N 5.177090 3.717327 -4.778064 - A12S 3.653588 4.348676 -5.000220 - A13C 4.154616 6.001227 -4.736227 - A14C 3.264318 7.088464 -4.729194 - A15N 2.519451 7.989493 -4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0000244590 - PAIRWISE POLARIZATION ENERGY -0.0000012778 - PAIRWISE DISPERSION ENERGY -0.0000182021 - PAIRWISE EXCHANGE REPULSION ENERGY -0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0000439388 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 11 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 1.630227 10.842222 -1.747300 - A02C 2.612029 9.399129 -1.532541 - A03C 2.101745 8.073979 -1.494585 - A04S 0.375367 7.684126 -1.688730 - A05C -0.065186 8.928439 -2.877122 - A06C 0.448850 10.196071 -2.907680 - A07C 0.051087 11.121702 -3.904959 - A08N -0.275814 11.907627 -4.708701 - A09C -1.041864 8.527839 -3.819832 - A10N -1.891240 8.204764 -4.556150 - A11N 2.962164 7.096777 -1.285161 - A12S 4.485666 7.728126 -1.063005 - A13C 3.984638 9.380677 -1.326998 - A14C 4.874936 10.467914 -1.334031 - A15N 5.619803 11.368943 -1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 12 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -10.785134 6.055028 16.442375 - A02C -9.803332 7.498121 16.657134 - A03C -10.313616 8.823271 16.695090 - A04S -12.039994 9.213124 16.500945 - A05C -12.480547 7.968811 15.312553 - A06C -11.966511 6.701179 15.281995 - A07C -12.364274 5.775548 14.284716 - A08N -12.691175 4.989623 13.480974 - A09C -13.457225 8.369411 14.369843 - A10N -14.306601 8.692486 13.633525 - A11N -9.453197 9.800473 16.904514 - A12S -7.929695 9.169124 17.126670 - A13C -8.430723 7.516573 16.862677 - A14C -7.540425 6.429336 16.855644 - A15N -6.795558 5.528307 16.823994 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 13 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -5.906334 2.675578 13.873750 - A02C -6.888136 4.118671 13.658991 - A03C -6.377852 5.443821 13.621035 - A04S -4.651474 5.833674 13.815180 - A05C -4.210921 4.589361 15.003572 - A06C -4.724957 3.321729 15.034130 - A07C -4.327194 2.396098 16.031409 - A08N -4.000293 1.610173 16.835151 - A09C -3.234243 4.989961 15.946282 - A10N -2.384867 5.313036 16.682600 - A11N -7.238271 6.421023 13.411611 - A12S -8.761773 5.789674 13.189455 - A13C -8.260745 4.137123 13.453448 - A14C -9.151043 3.049886 13.460481 - A15N -9.895910 2.148857 13.492131 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0000059620 - PAIRWISE POLARIZATION ENERGY -0.0000019679 - PAIRWISE DISPERSION ENERGY -0.0000102120 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0000181419 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 14 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 2.232919 7.462772 7.810525 - A02C 1.251118 6.019679 7.595766 - A03C 1.761402 4.694529 7.557810 - A04S 3.487780 4.304677 7.751955 - A05C 3.928333 5.548990 8.940347 - A06C 3.414296 6.816622 8.970905 - A07C 3.812058 7.742253 9.968184 - A08N 4.138959 8.528178 10.771926 - A09C 4.905010 5.148391 9.883058 - A10N 5.754386 4.825316 10.619376 - A11N 0.900984 3.717327 7.348386 - A12S -0.622518 4.348675 7.126230 - A13C -0.121491 6.001226 7.390223 - A14C -1.011790 7.088463 7.397255 - A15N -1.756657 7.989491 7.428905 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 15 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S -2.645880 10.842222 10.379150 - A02C -1.664079 9.399129 10.593909 - A03C -2.174363 8.073979 10.631865 - A04S -3.900741 7.684127 10.437720 - A05C -4.341294 8.928440 9.249328 - A06C -3.827257 10.196072 9.218770 - A07C -4.225019 11.121703 8.221491 - A08N -4.551920 11.907628 7.417749 - A09C -5.317971 8.527841 8.306617 - A10N -6.167347 8.204766 7.570299 - A11N -1.313945 7.096777 10.841289 - A12S 0.209557 7.728125 11.063445 - A13C -0.291470 9.380676 10.799452 - A14C 0.598829 10.467913 10.792420 - A15N 1.343696 11.368941 10.760770 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 16 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -6.509027 12.813928 4.315925 - A02C -5.527225 14.257021 4.530684 - A03C -6.037509 15.582171 4.568640 - A04S -7.763887 15.972024 4.374495 - A05C -8.204440 14.727711 3.186103 - A06C -7.690404 13.460079 3.155545 - A07C -8.088167 12.534448 2.158266 - A08N -8.415068 11.748523 1.354524 - A09C -9.181118 15.128311 2.243393 - A10N -10.030494 15.451386 1.507075 - A11N -5.177090 16.559373 4.778064 - A12S -3.653588 15.928024 5.000220 - A13C -4.154616 14.275473 4.736227 - A14C -3.264318 13.188236 4.729194 - A15N -2.519451 12.287207 4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 17 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -1.630227 9.434478 1.747300 - A02C -2.612029 10.877571 1.532541 - A03C -2.101745 12.202721 1.494585 - A04S -0.375367 12.592574 1.688730 - A05C 0.065186 11.348261 2.877122 - A06C -0.448850 10.080629 2.907680 - A07C -0.051087 9.154998 3.904959 - A08N 0.275814 8.369073 4.708701 - A09C 1.041864 11.748861 3.819832 - A10N 1.891240 12.071936 4.556150 - A11N -2.962164 13.179923 1.285161 - A12S -4.485666 12.548574 1.063005 - A13C -3.984638 10.896023 1.326998 - A14C -4.874936 9.808786 1.334031 - A15N -5.619803 8.907757 1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 18 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 6.509027 14.221672 -4.315925 - A02C 5.527225 12.778579 -4.530684 - A03C 6.037509 11.453429 -4.568640 - A04S 7.763887 11.063576 -4.374495 - A05C 8.204440 12.307889 -3.186103 - A06C 7.690404 13.575521 -3.155545 - A07C 8.088167 14.501152 -2.158266 - A08N 8.415068 15.287077 -1.354524 - A09C 9.181118 11.907289 -2.243393 - A10N 10.030494 11.584214 -1.507075 - A11N 5.177090 10.476227 -4.778064 - A12S 3.653588 11.107576 -5.000220 - A13C 4.154616 12.760127 -4.736227 - A14C 3.264318 13.847364 -4.729194 - A15N 2.519451 14.748393 -4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 19 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 1.630227 17.601122 -1.747300 - A02C 2.612029 16.158029 -1.532541 - A03C 2.101745 14.832879 -1.494585 - A04S 0.375367 14.443026 -1.688730 - A05C -0.065186 15.687339 -2.877122 - A06C 0.448850 16.954971 -2.907680 - A07C 0.051087 17.880602 -3.904959 - A08N -0.275814 18.666527 -4.708701 - A09C -1.041864 15.286739 -3.819832 - A10N -1.891240 14.963664 -4.556150 - A11N 2.962164 13.855677 -1.285161 - A12S 4.485666 14.487026 -1.063005 - A13C 3.984638 16.139577 -1.326998 - A14C 4.874936 17.226814 -1.334031 - A15N 5.619803 18.127843 -1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 20 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -10.785134 12.813928 16.442375 - A02C -9.803332 14.257021 16.657134 - A03C -10.313616 15.582171 16.695090 - A04S -12.039994 15.972024 16.500945 - A05C -12.480547 14.727711 15.312553 - A06C -11.966511 13.460079 15.281995 - A07C -12.364274 12.534448 14.284716 - A08N -12.691175 11.748523 13.480974 - A09C -13.457225 15.128311 14.369843 - A10N -14.306601 15.451386 13.633525 - A11N -9.453197 16.559373 16.904514 - A12S -7.929695 15.928024 17.126670 - A13C -8.430723 14.275473 16.862677 - A14C -7.540425 13.188236 16.855644 - A15N -6.795558 12.287207 16.823994 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 21 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -5.906334 9.434478 13.873750 - A02C -6.888136 10.877571 13.658991 - A03C -6.377852 12.202721 13.621035 - A04S -4.651474 12.592574 13.815180 - A05C -4.210921 11.348261 15.003572 - A06C -4.724957 10.080629 15.034130 - A07C -4.327194 9.154998 16.031409 - A08N -4.000293 8.369073 16.835151 - A09C -3.234243 11.748861 15.946282 - A10N -2.384867 12.071936 16.682600 - A11N -7.238271 13.179923 13.411611 - A12S -8.761773 12.548574 13.189455 - A13C -8.260745 10.896023 13.453448 - A14C -9.151043 9.808786 13.460481 - A15N -9.895910 8.907757 13.492131 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 22 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 2.232919 14.221672 7.810525 - A02C 1.251118 12.778579 7.595766 - A03C 1.761402 11.453429 7.557810 - A04S 3.487780 11.063577 7.751955 - A05C 3.928333 12.307890 8.940347 - A06C 3.414296 13.575522 8.970905 - A07C 3.812058 14.501153 9.968184 - A08N 4.138959 15.287078 10.771926 - A09C 4.905010 11.907291 9.883058 - A10N 5.754386 11.584216 10.619376 - A11N 0.900984 10.476227 7.348386 - A12S -0.622518 11.107575 7.126230 - A13C -0.121491 12.760126 7.390223 - A14C -1.011790 13.847363 7.397255 - A15N -1.756657 14.748391 7.428905 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 23 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S -2.645880 17.601122 10.379150 - A02C -1.664079 16.158029 10.593909 - A03C -2.174363 14.832879 10.631865 - A04S -3.900741 14.443027 10.437720 - A05C -4.341294 15.687340 9.249328 - A06C -3.827257 16.954972 9.218770 - A07C -4.225019 17.880603 8.221491 - A08N -4.551920 18.666528 7.417749 - A09C -5.317971 15.286741 8.306617 - A10N -6.167347 14.963666 7.570299 - A11N -1.313945 13.855677 10.841289 - A12S 0.209557 14.487025 11.063445 - A13C -0.291470 16.139576 10.799452 - A14C 0.598829 17.226813 10.792420 - A15N 1.343696 18.127841 10.760770 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 24 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -6.509027 19.572828 4.315925 - A02C -5.527225 21.015921 4.530684 - A03C -6.037509 22.341071 4.568640 - A04S -7.763887 22.730924 4.374495 - A05C -8.204440 21.486611 3.186103 - A06C -7.690404 20.218979 3.155545 - A07C -8.088167 19.293348 2.158266 - A08N -8.415068 18.507423 1.354524 - A09C -9.181118 21.887211 2.243393 - A10N -10.030494 22.210286 1.507075 - A11N -5.177090 23.318273 4.778064 - A12S -3.653588 22.686924 5.000220 - A13C -4.154616 21.034373 4.736227 - A14C -3.264318 19.947136 4.729194 - A15N -2.519451 19.046107 4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0052997977 - PAIRWISE POLARIZATION ENERGY -0.0004115679 - PAIRWISE DISPERSION ENERGY -0.0090620393 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0018995793 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0128738257 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 25 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -1.630227 16.193378 1.747300 - A02C -2.612029 17.636471 1.532541 - A03C -2.101745 18.961621 1.494585 - A04S -0.375367 19.351474 1.688730 - A05C 0.065186 18.107161 2.877122 - A06C -0.448850 16.839529 2.907680 - A07C -0.051087 15.913898 3.904959 - A08N 0.275814 15.127973 4.708701 - A09C 1.041864 18.507761 3.819832 - A10N 1.891240 18.830836 4.556150 - A11N -2.962164 19.938823 1.285161 - A12S -4.485666 19.307474 1.063005 - A13C -3.984638 17.654923 1.326998 - A14C -4.874936 16.567686 1.334031 - A15N -5.619803 15.666657 1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 26 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 6.509027 20.980572 -4.315925 - A02C 5.527225 19.537479 -4.530684 - A03C 6.037509 18.212329 -4.568640 - A04S 7.763887 17.822476 -4.374495 - A05C 8.204440 19.066789 -3.186103 - A06C 7.690404 20.334421 -3.155545 - A07C 8.088167 21.260052 -2.158266 - A08N 8.415068 22.045977 -1.354524 - A09C 9.181118 18.666189 -2.243393 - A10N 10.030494 18.343114 -1.507075 - A11N 5.177090 17.235127 -4.778064 - A12S 3.653588 17.866476 -5.000220 - A13C 4.154616 19.519027 -4.736227 - A14C 3.264318 20.606264 -4.729194 - A15N 2.519451 21.507293 -4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0000558284 - PAIRWISE POLARIZATION ENERGY -0.0000052238 - PAIRWISE DISPERSION ENERGY -0.0000119700 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0000730222 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 27 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 1.630227 24.360022 -1.747300 - A02C 2.612029 22.916929 -1.532541 - A03C 2.101745 21.591779 -1.494585 - A04S 0.375367 21.201926 -1.688730 - A05C -0.065186 22.446239 -2.877122 - A06C 0.448850 23.713871 -2.907680 - A07C 0.051087 24.639502 -3.904959 - A08N -0.275814 25.425427 -4.708701 - A09C -1.041864 22.045639 -3.819832 - A10N -1.891240 21.722564 -4.556150 - A11N 2.962164 20.614577 -1.285161 - A12S 4.485666 21.245926 -1.063005 - A13C 3.984638 22.898477 -1.326998 - A14C 4.874936 23.985714 -1.334031 - A15N 5.619803 24.886743 -1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0000011294 - PAIRWISE POLARIZATION ENERGY -0.0000001393 - PAIRWISE DISPERSION ENERGY -0.0000036522 - PAIRWISE EXCHANGE REPULSION ENERGY -0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0000049209 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 28 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -10.785134 19.572828 16.442375 - A02C -9.803332 21.015921 16.657134 - A03C -10.313616 22.341071 16.695090 - A04S -12.039994 22.730924 16.500945 - A05C -12.480547 21.486611 15.312553 - A06C -11.966511 20.218979 15.281995 - A07C -12.364274 19.293348 14.284716 - A08N -12.691175 18.507423 13.480974 - A09C -13.457225 21.887211 14.369843 - A10N -14.306601 22.210286 13.633525 - A11N -9.453197 23.318273 16.904514 - A12S -7.929695 22.686924 17.126670 - A13C -8.430723 21.034373 16.862677 - A14C -7.540425 19.947136 16.855644 - A15N -6.795558 19.046107 16.823994 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 29 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S -5.906334 16.193378 13.873750 - A02C -6.888136 17.636471 13.658991 - A03C -6.377852 18.961621 13.621035 - A04S -4.651474 19.351474 13.815180 - A05C -4.210921 18.107161 15.003572 - A06C -4.724957 16.839529 15.034130 - A07C -4.327194 15.913898 16.031409 - A08N -4.000293 15.127973 16.835151 - A09C -3.234243 18.507761 15.946282 - A10N -2.384867 18.830836 16.682600 - A11N -7.238271 19.938823 13.411611 - A12S -8.761773 19.307474 13.189455 - A13C -8.260745 17.654923 13.453448 - A14C -9.151043 16.567686 13.460481 - A15N -9.895910 15.666657 13.492131 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 30 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 2.232919 20.980572 7.810525 - A02C 1.251118 19.537479 7.595766 - A03C 1.761402 18.212329 7.557810 - A04S 3.487780 17.822477 7.751955 - A05C 3.928333 19.066790 8.940347 - A06C 3.414296 20.334422 8.970905 - A07C 3.812058 21.260053 9.968184 - A08N 4.138959 22.045978 10.771926 - A09C 4.905010 18.666191 9.883058 - A10N 5.754386 18.343116 10.619376 - A11N 0.900984 17.235127 7.348386 - A12S -0.622518 17.866475 7.126230 - A13C -0.121491 19.519026 7.390223 - A14C -1.011790 20.606263 7.397255 - A15N -1.756657 21.507291 7.428905 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 31 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S -2.645880 24.360022 10.379150 - A02C -1.664079 22.916929 10.593909 - A03C -2.174363 21.591779 10.631865 - A04S -3.900741 21.201927 10.437720 - A05C -4.341294 22.446240 9.249328 - A06C -3.827257 23.713872 9.218770 - A07C -4.225019 24.639503 8.221491 - A08N -4.551920 25.425428 7.417749 - A09C -5.317971 22.045641 8.306617 - A10N -6.167347 21.722566 7.570299 - A11N -1.313945 20.614577 10.841289 - A12S 0.209557 21.245925 11.063445 - A13C -0.291470 22.898476 10.799452 - A14C 0.598829 23.985713 10.792420 - A15N 1.343696 24.886741 10.760770 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0048287014 - PAIRWISE POLARIZATION ENERGY -0.0010313923 - PAIRWISE DISPERSION ENERGY -0.0036105593 - PAIRWISE EXCHANGE REPULSION ENERGY -0.0005780584 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0100487114 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 32 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 5.493373 -0.703872 4.315925 - A02C 6.475175 0.739221 4.530684 - A03C 5.964891 2.064371 4.568640 - A04S 4.238513 2.454224 4.374495 - A05C 3.797960 1.209911 3.186103 - A06C 4.311996 -0.057721 3.155545 - A07C 3.914233 -0.983352 2.158266 - A08N 3.587332 -1.769277 1.354524 - A09C 2.821282 1.610511 2.243393 - A10N 1.971906 1.933586 1.507075 - A11N 6.825310 3.041573 4.778064 - A12S 8.348812 2.410224 5.000220 - A13C 7.847784 0.757673 4.736227 - A14C 8.738082 -0.329564 4.729194 - A15N 9.482949 -1.230593 4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 33 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 10.372173 -4.083322 1.747300 - A02C 9.390371 -2.640229 1.532541 - A03C 9.900655 -1.315079 1.494585 - A04S 11.627033 -0.925226 1.688730 - A05C 12.067586 -2.169539 2.877122 - A06C 11.553550 -3.437171 2.907680 - A07C 11.951313 -4.362802 3.904959 - A08N 12.278214 -5.148727 4.708701 - A09C 13.044264 -1.768939 3.819832 - A10N 13.893640 -1.445864 4.556150 - A11N 9.040236 -0.337877 1.285161 - A12S 7.516734 -0.969226 1.063005 - A13C 8.017762 -2.621777 1.326998 - A14C 7.127464 -3.709014 1.334031 - A15N 6.382597 -4.610043 1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000682193 - PAIRWISE POLARIZATION ENERGY 0.0000049121 - PAIRWISE DISPERSION ENERGY -0.0000178991 - PAIRWISE EXCHANGE REPULSION ENERGY -0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000552323 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 34 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 18.511427 0.703872 -4.315925 - A02C 17.529625 -0.739221 -4.530684 - A03C 18.039909 -2.064371 -4.568640 - A04S 19.766287 -2.454224 -4.374495 - A05C 20.206840 -1.209911 -3.186103 - A06C 19.692804 0.057721 -3.155545 - A07C 20.090567 0.983352 -2.158266 - A08N 20.417468 1.769277 -1.354524 - A09C 21.183518 -1.610511 -2.243393 - A10N 22.032894 -1.933586 -1.507075 - A11N 17.179490 -3.041573 -4.778064 - A12S 15.655988 -2.410224 -5.000220 - A13C 16.157016 -0.757673 -4.736227 - A14C 15.266718 0.329564 -4.729194 - A15N 14.521851 1.230593 -4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 35 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 13.632627 4.083322 -1.747300 - A02C 14.614429 2.640229 -1.532541 - A03C 14.104145 1.315079 -1.494585 - A04S 12.377767 0.925226 -1.688730 - A05C 11.937214 2.169539 -2.877122 - A06C 12.451250 3.437171 -2.907680 - A07C 12.053487 4.362802 -3.904959 - A08N 11.726586 5.148727 -4.708701 - A09C 10.960536 1.768939 -3.819832 - A10N 10.111160 1.445864 -4.556150 - A11N 14.964564 0.337877 -1.285161 - A12S 16.488066 0.969226 -1.063005 - A13C 15.987038 2.621777 -1.326998 - A14C 16.877336 3.709014 -1.334031 - A15N 17.622203 4.610043 -1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0053861361 - PAIRWISE POLARIZATION ENERGY -0.0006619356 - PAIRWISE DISPERSION ENERGY -0.0102862817 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0012961354 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0150382180 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 36 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 1.217266 -0.703872 16.442375 - A02C 2.199068 0.739221 16.657134 - A03C 1.688784 2.064371 16.695090 - A04S -0.037594 2.454224 16.500945 - A05C -0.478147 1.209911 15.312553 - A06C 0.035889 -0.057721 15.281995 - A07C -0.361874 -0.983352 14.284716 - A08N -0.688775 -1.769277 13.480974 - A09C -1.454825 1.610511 14.369843 - A10N -2.304201 1.933586 13.633525 - A11N 2.549203 3.041573 16.904514 - A12S 4.072705 2.410224 17.126670 - A13C 3.571677 0.757673 16.862677 - A14C 4.461975 -0.329564 16.855644 - A15N 5.206842 -1.230593 16.823994 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 37 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 6.096066 -4.083322 13.873750 - A02C 5.114264 -2.640229 13.658991 - A03C 5.624548 -1.315079 13.621035 - A04S 7.350926 -0.925226 13.815180 - A05C 7.791479 -2.169539 15.003572 - A06C 7.277443 -3.437171 15.034130 - A07C 7.675206 -4.362802 16.031409 - A08N 8.002107 -5.148727 16.835151 - A09C 8.768157 -1.768939 15.946282 - A10N 9.617533 -1.445864 16.682600 - A11N 4.764129 -0.337877 13.411611 - A12S 3.240627 -0.969226 13.189455 - A13C 3.741655 -2.621777 13.453448 - A14C 2.851357 -3.709014 13.460481 - A15N 2.106490 -4.610043 13.492131 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000066 - PAIRWISE POLARIZATION ENERGY -0.0000000235 - PAIRWISE DISPERSION ENERGY -0.0000000269 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0000000438 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 38 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 14.235319 0.703872 7.810525 - A02C 13.253518 -0.739221 7.595766 - A03C 13.763802 -2.064371 7.557810 - A04S 15.490180 -2.454223 7.751955 - A05C 15.930733 -1.209910 8.940347 - A06C 15.416696 0.057722 8.970905 - A07C 15.814458 0.983353 9.968184 - A08N 16.141359 1.769278 10.771926 - A09C 16.907410 -1.610509 9.883058 - A10N 17.756786 -1.933584 10.619376 - A11N 12.903384 -3.041573 7.348386 - A12S 11.379882 -2.410225 7.126230 - A13C 11.880909 -0.757674 7.390223 - A14C 10.990610 0.329563 7.397255 - A15N 10.245743 1.230591 7.428905 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 39 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 9.356520 4.083322 10.379150 - A02C 10.338321 2.640229 10.593909 - A03C 9.828037 1.315079 10.631865 - A04S 8.101659 0.925227 10.437720 - A05C 7.661106 2.169540 9.249328 - A06C 8.175143 3.437172 9.218770 - A07C 7.777381 4.362803 8.221491 - A08N 7.450480 5.148728 7.417749 - A09C 6.684429 1.768941 8.306617 - A10N 5.835053 1.445866 7.570299 - A11N 10.688455 0.337877 10.841289 - A12S 12.211957 0.969225 11.063445 - A13C 11.710930 2.621776 10.799452 - A14C 12.601229 3.709013 10.792420 - A15N 13.346096 4.610041 10.760770 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000107809 - PAIRWISE POLARIZATION ENERGY 0.0000024710 - PAIRWISE DISPERSION ENERGY -0.0000064008 - PAIRWISE EXCHANGE REPULSION ENERGY -0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000068512 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 40 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 5.493373 6.055028 4.315925 - A02C 6.475175 7.498121 4.530684 - A03C 5.964891 8.823271 4.568640 - A04S 4.238513 9.213124 4.374495 - A05C 3.797960 7.968811 3.186103 - A06C 4.311996 6.701179 3.155545 - A07C 3.914233 5.775548 2.158266 - A08N 3.587332 4.989623 1.354524 - A09C 2.821282 8.369411 2.243393 - A10N 1.971906 8.692486 1.507075 - A11N 6.825310 9.800473 4.778064 - A12S 8.348812 9.169124 5.000220 - A13C 7.847784 7.516573 4.736227 - A14C 8.738082 6.429336 4.729194 - A15N 9.482949 5.528307 4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 41 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 10.372173 2.675578 1.747300 - A02C 9.390371 4.118671 1.532541 - A03C 9.900655 5.443821 1.494585 - A04S 11.627033 5.833674 1.688730 - A05C 12.067586 4.589361 2.877122 - A06C 11.553550 3.321729 2.907680 - A07C 11.951313 2.396098 3.904959 - A08N 12.278214 1.610173 4.708701 - A09C 13.044264 4.989961 3.819832 - A10N 13.893640 5.313036 4.556150 - A11N 9.040236 6.421023 1.285161 - A12S 7.516734 5.789674 1.063005 - A13C 8.017762 4.137123 1.326998 - A14C 7.127464 3.049886 1.334031 - A15N 6.382597 2.148857 1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000682193 - PAIRWISE POLARIZATION ENERGY 0.0000049121 - PAIRWISE DISPERSION ENERGY -0.0000178991 - PAIRWISE EXCHANGE REPULSION ENERGY -0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000552323 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 42 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 18.511427 7.462772 -4.315925 - A02C 17.529625 6.019679 -4.530684 - A03C 18.039909 4.694529 -4.568640 - A04S 19.766287 4.304676 -4.374495 - A05C 20.206840 5.548989 -3.186103 - A06C 19.692804 6.816621 -3.155545 - A07C 20.090567 7.742252 -2.158266 - A08N 20.417468 8.528177 -1.354524 - A09C 21.183518 5.148389 -2.243393 - A10N 22.032894 4.825314 -1.507075 - A11N 17.179490 3.717327 -4.778064 - A12S 15.655988 4.348676 -5.000220 - A13C 16.157016 6.001227 -4.736227 - A14C 15.266718 7.088464 -4.729194 - A15N 14.521851 7.989493 -4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 43 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 13.632627 10.842222 -1.747300 - A02C 14.614429 9.399129 -1.532541 - A03C 14.104145 8.073979 -1.494585 - A04S 12.377767 7.684126 -1.688730 - A05C 11.937214 8.928439 -2.877122 - A06C 12.451250 10.196071 -2.907680 - A07C 12.053487 11.121702 -3.904959 - A08N 11.726586 11.907627 -4.708701 - A09C 10.960536 8.527839 -3.819832 - A10N 10.111160 8.204764 -4.556150 - A11N 14.964564 7.096777 -1.285161 - A12S 16.488066 7.728126 -1.063005 - A13C 15.987038 9.380677 -1.326998 - A14C 16.877336 10.467914 -1.334031 - A15N 17.622203 11.368943 -1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 44 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 1.217266 6.055028 16.442375 - A02C 2.199068 7.498121 16.657134 - A03C 1.688784 8.823271 16.695090 - A04S -0.037594 9.213124 16.500945 - A05C -0.478147 7.968811 15.312553 - A06C 0.035889 6.701179 15.281995 - A07C -0.361874 5.775548 14.284716 - A08N -0.688775 4.989623 13.480974 - A09C -1.454825 8.369411 14.369843 - A10N -2.304201 8.692486 13.633525 - A11N 2.549203 9.800473 16.904514 - A12S 4.072705 9.169124 17.126670 - A13C 3.571677 7.516573 16.862677 - A14C 4.461975 6.429336 16.855644 - A15N 5.206842 5.528307 16.823994 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 45 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 6.096066 2.675578 13.873750 - A02C 5.114264 4.118671 13.658991 - A03C 5.624548 5.443821 13.621035 - A04S 7.350926 5.833674 13.815180 - A05C 7.791479 4.589361 15.003572 - A06C 7.277443 3.321729 15.034130 - A07C 7.675206 2.396098 16.031409 - A08N 8.002107 1.610173 16.835151 - A09C 8.768157 4.989961 15.946282 - A10N 9.617533 5.313036 16.682600 - A11N 4.764129 6.421023 13.411611 - A12S 3.240627 5.789674 13.189455 - A13C 3.741655 4.137123 13.453448 - A14C 2.851357 3.049886 13.460481 - A15N 2.106490 2.148857 13.492131 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000066 - PAIRWISE POLARIZATION ENERGY -0.0000000235 - PAIRWISE DISPERSION ENERGY -0.0000000269 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0000000438 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 46 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 14.235319 7.462772 7.810525 - A02C 13.253518 6.019679 7.595766 - A03C 13.763802 4.694529 7.557810 - A04S 15.490180 4.304677 7.751955 - A05C 15.930733 5.548990 8.940347 - A06C 15.416696 6.816622 8.970905 - A07C 15.814458 7.742253 9.968184 - A08N 16.141359 8.528178 10.771926 - A09C 16.907410 5.148391 9.883058 - A10N 17.756786 4.825316 10.619376 - A11N 12.903384 3.717327 7.348386 - A12S 11.379882 4.348675 7.126230 - A13C 11.880909 6.001226 7.390223 - A14C 10.990610 7.088463 7.397255 - A15N 10.245743 7.989491 7.428905 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 47 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 9.356520 10.842222 10.379150 - A02C 10.338321 9.399129 10.593909 - A03C 9.828037 8.073979 10.631865 - A04S 8.101659 7.684127 10.437720 - A05C 7.661106 8.928440 9.249328 - A06C 8.175143 10.196072 9.218770 - A07C 7.777381 11.121703 8.221491 - A08N 7.450480 11.907628 7.417749 - A09C 6.684429 8.527841 8.306617 - A10N 5.835053 8.204766 7.570299 - A11N 10.688455 7.096777 10.841289 - A12S 12.211957 7.728125 11.063445 - A13C 11.710930 9.380676 10.799452 - A14C 12.601229 10.467913 10.792420 - A15N 13.346096 11.368941 10.760770 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 48 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 5.493373 12.813928 4.315925 - A02C 6.475175 14.257021 4.530684 - A03C 5.964891 15.582171 4.568640 - A04S 4.238513 15.972024 4.374495 - A05C 3.797960 14.727711 3.186103 - A06C 4.311996 13.460079 3.155545 - A07C 3.914233 12.534448 2.158266 - A08N 3.587332 11.748523 1.354524 - A09C 2.821282 15.128311 2.243393 - A10N 1.971906 15.451386 1.507075 - A11N 6.825310 16.559373 4.778064 - A12S 8.348812 15.928024 5.000220 - A13C 7.847784 14.275473 4.736227 - A14C 8.738082 13.188236 4.729194 - A15N 9.482949 12.287207 4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 49 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 10.372173 9.434478 1.747300 - A02C 9.390371 10.877571 1.532541 - A03C 9.900655 12.202721 1.494585 - A04S 11.627033 12.592574 1.688730 - A05C 12.067586 11.348261 2.877122 - A06C 11.553550 10.080629 2.907680 - A07C 11.951313 9.154998 3.904959 - A08N 12.278214 8.369073 4.708701 - A09C 13.044264 11.748861 3.819832 - A10N 13.893640 12.071936 4.556150 - A11N 9.040236 13.179923 1.285161 - A12S 7.516734 12.548574 1.063005 - A13C 8.017762 10.896023 1.326998 - A14C 7.127464 9.808786 1.334031 - A15N 6.382597 8.907757 1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 50 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 18.511427 14.221672 -4.315925 - A02C 17.529625 12.778579 -4.530684 - A03C 18.039909 11.453429 -4.568640 - A04S 19.766287 11.063576 -4.374495 - A05C 20.206840 12.307889 -3.186103 - A06C 19.692804 13.575521 -3.155545 - A07C 20.090567 14.501152 -2.158266 - A08N 20.417468 15.287077 -1.354524 - A09C 21.183518 11.907289 -2.243393 - A10N 22.032894 11.584214 -1.507075 - A11N 17.179490 10.476227 -4.778064 - A12S 15.655988 11.107576 -5.000220 - A13C 16.157016 12.760127 -4.736227 - A14C 15.266718 13.847364 -4.729194 - A15N 14.521851 14.748393 -4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 51 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 13.632627 17.601122 -1.747300 - A02C 14.614429 16.158029 -1.532541 - A03C 14.104145 14.832879 -1.494585 - A04S 12.377767 14.443026 -1.688730 - A05C 11.937214 15.687339 -2.877122 - A06C 12.451250 16.954971 -2.907680 - A07C 12.053487 17.880602 -3.904959 - A08N 11.726586 18.666527 -4.708701 - A09C 10.960536 15.286739 -3.819832 - A10N 10.111160 14.963664 -4.556150 - A11N 14.964564 13.855677 -1.285161 - A12S 16.488066 14.487026 -1.063005 - A13C 15.987038 16.139577 -1.326998 - A14C 16.877336 17.226814 -1.334031 - A15N 17.622203 18.127843 -1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 52 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 1.217266 12.813928 16.442375 - A02C 2.199068 14.257021 16.657134 - A03C 1.688784 15.582171 16.695090 - A04S -0.037594 15.972024 16.500945 - A05C -0.478147 14.727711 15.312553 - A06C 0.035889 13.460079 15.281995 - A07C -0.361874 12.534448 14.284716 - A08N -0.688775 11.748523 13.480974 - A09C -1.454825 15.128311 14.369843 - A10N -2.304201 15.451386 13.633525 - A11N 2.549203 16.559373 16.904514 - A12S 4.072705 15.928024 17.126670 - A13C 3.571677 14.275473 16.862677 - A14C 4.461975 13.188236 16.855644 - A15N 5.206842 12.287207 16.823994 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 53 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 6.096066 9.434478 13.873750 - A02C 5.114264 10.877571 13.658991 - A03C 5.624548 12.202721 13.621035 - A04S 7.350926 12.592574 13.815180 - A05C 7.791479 11.348261 15.003572 - A06C 7.277443 10.080629 15.034130 - A07C 7.675206 9.154998 16.031409 - A08N 8.002107 8.369073 16.835151 - A09C 8.768157 11.748861 15.946282 - A10N 9.617533 12.071936 16.682600 - A11N 4.764129 13.179923 13.411611 - A12S 3.240627 12.548574 13.189455 - A13C 3.741655 10.896023 13.453448 - A14C 2.851357 9.808786 13.460481 - A15N 2.106490 8.907757 13.492131 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 54 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 14.235319 14.221672 7.810525 - A02C 13.253518 12.778579 7.595766 - A03C 13.763802 11.453429 7.557810 - A04S 15.490180 11.063577 7.751955 - A05C 15.930733 12.307890 8.940347 - A06C 15.416696 13.575522 8.970905 - A07C 15.814458 14.501153 9.968184 - A08N 16.141359 15.287078 10.771926 - A09C 16.907410 11.907291 9.883058 - A10N 17.756786 11.584216 10.619376 - A11N 12.903384 10.476227 7.348386 - A12S 11.379882 11.107575 7.126230 - A13C 11.880909 12.760126 7.390223 - A14C 10.990610 13.847363 7.397255 - A15N 10.245743 14.748391 7.428905 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 55 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 9.356520 17.601122 10.379150 - A02C 10.338321 16.158029 10.593909 - A03C 9.828037 14.832879 10.631865 - A04S 8.101659 14.443027 10.437720 - A05C 7.661106 15.687340 9.249328 - A06C 8.175143 16.954972 9.218770 - A07C 7.777381 17.880603 8.221491 - A08N 7.450480 18.666528 7.417749 - A09C 6.684429 15.286741 8.306617 - A10N 5.835053 14.963666 7.570299 - A11N 10.688455 13.855677 10.841289 - A12S 12.211957 14.487025 11.063445 - A13C 11.710930 16.139576 10.799452 - A14C 12.601229 17.226813 10.792420 - A15N 13.346096 18.127841 10.760770 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 56 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 5.493373 19.572828 4.315925 - A02C 6.475175 21.015921 4.530684 - A03C 5.964891 22.341071 4.568640 - A04S 4.238513 22.730924 4.374495 - A05C 3.797960 21.486611 3.186103 - A06C 4.311996 20.218979 3.155545 - A07C 3.914233 19.293348 2.158266 - A08N 3.587332 18.507423 1.354524 - A09C 2.821282 21.887211 2.243393 - A10N 1.971906 22.210286 1.507075 - A11N 6.825310 23.318273 4.778064 - A12S 8.348812 22.686924 5.000220 - A13C 7.847784 21.034373 4.736227 - A14C 8.738082 19.947136 4.729194 - A15N 9.482949 19.046107 4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 57 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 10.372173 16.193378 1.747300 - A02C 9.390371 17.636471 1.532541 - A03C 9.900655 18.961621 1.494585 - A04S 11.627033 19.351474 1.688730 - A05C 12.067586 18.107161 2.877122 - A06C 11.553550 16.839529 2.907680 - A07C 11.951313 15.913898 3.904959 - A08N 12.278214 15.127973 4.708701 - A09C 13.044264 18.507761 3.819832 - A10N 13.893640 18.830836 4.556150 - A11N 9.040236 19.938823 1.285161 - A12S 7.516734 19.307474 1.063005 - A13C 8.017762 17.654923 1.326998 - A14C 7.127464 16.567686 1.334031 - A15N 6.382597 15.666657 1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 58 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 18.511427 20.980572 -4.315925 - A02C 17.529625 19.537479 -4.530684 - A03C 18.039909 18.212329 -4.568640 - A04S 19.766287 17.822476 -4.374495 - A05C 20.206840 19.066789 -3.186103 - A06C 19.692804 20.334421 -3.155545 - A07C 20.090567 21.260052 -2.158266 - A08N 20.417468 22.045977 -1.354524 - A09C 21.183518 18.666189 -2.243393 - A10N 22.032894 18.343114 -1.507075 - A11N 17.179490 17.235127 -4.778064 - A12S 15.655988 17.866476 -5.000220 - A13C 16.157016 19.519027 -4.736227 - A14C 15.266718 20.606264 -4.729194 - A15N 14.521851 21.507293 -4.697544 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 59 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 13.632627 24.360022 -1.747300 - A02C 14.614429 22.916929 -1.532541 - A03C 14.104145 21.591779 -1.494585 - A04S 12.377767 21.201926 -1.688730 - A05C 11.937214 22.446239 -2.877122 - A06C 12.451250 23.713871 -2.907680 - A07C 12.053487 24.639502 -3.904959 - A08N 11.726586 25.425427 -4.708701 - A09C 10.960536 22.045639 -3.819832 - A10N 10.111160 21.722564 -4.556150 - A11N 14.964564 20.614577 -1.285161 - A12S 16.488066 21.245926 -1.063005 - A13C 15.987038 22.898477 -1.326998 - A14C 16.877336 23.985714 -1.334031 - A15N 17.622203 24.886743 -1.365681 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0048286961 - PAIRWISE POLARIZATION ENERGY -0.0010314033 - PAIRWISE DISPERSION ENERGY -0.0036105715 - PAIRWISE EXCHANGE REPULSION ENERGY -0.0005780855 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0100487565 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 60 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 1.217266 19.572828 16.442375 - A02C 2.199068 21.015921 16.657134 - A03C 1.688784 22.341071 16.695090 - A04S -0.037594 22.730924 16.500945 - A05C -0.478147 21.486611 15.312553 - A06C 0.035889 20.218979 15.281995 - A07C -0.361874 19.293348 14.284716 - A08N -0.688775 18.507423 13.480974 - A09C -1.454825 21.887211 14.369843 - A10N -2.304201 22.210286 13.633525 - A11N 2.549203 23.318273 16.904514 - A12S 4.072705 22.686924 17.126670 - A13C 3.571677 21.034373 16.862677 - A14C 4.461975 19.947136 16.855644 - A15N 5.206842 19.046107 16.823994 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 61 (XXII_exp_N2_1_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_1_L - A01S 6.096066 16.193378 13.873750 - A02C 5.114264 17.636471 13.658991 - A03C 5.624548 18.961621 13.621035 - A04S 7.350926 19.351474 13.815180 - A05C 7.791479 18.107161 15.003572 - A06C 7.277443 16.839529 15.034130 - A07C 7.675206 15.913898 16.031409 - A08N 8.002107 15.127973 16.835151 - A09C 8.768157 18.507761 15.946282 - A10N 9.617533 18.830836 16.682600 - A11N 4.764129 19.938823 13.411611 - A12S 3.240627 19.307474 13.189455 - A13C 3.741655 17.654923 13.453448 - A14C 2.851357 16.567686 13.460481 - A15N 2.106490 15.666657 13.492131 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 62 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 14.235319 20.980572 7.810525 - A02C 13.253518 19.537479 7.595766 - A03C 13.763802 18.212329 7.557810 - A04S 15.490180 17.822477 7.751955 - A05C 15.930733 19.066790 8.940347 - A06C 15.416696 20.334422 8.970905 - A07C 15.814458 21.260053 9.968184 - A08N 16.141359 22.045978 10.771926 - A09C 16.907410 18.666191 9.883058 - A10N 17.756786 18.343116 10.619376 - A11N 12.903384 17.235127 7.348386 - A12S 11.379882 17.866475 7.126230 - A13C 11.880909 19.519026 7.390223 - A14C 10.990610 20.606263 7.397255 - A15N 10.245743 21.507291 7.428905 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY 0.0000000000 - PAIRWISE POLARIZATION ENERGY 0.0000000000 - PAIRWISE DISPERSION ENERGY 0.0000000000 - PAIRWISE EXCHANGE REPULSION ENERGY 0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY 0.0000000000 - - --------------------------------------------------------- - PAIRWISE ENERGY BETWEEN FRAGMENT 63 (XXII_exp_N2_2_L) AND LIGAND 0 (XXII_exp_N2_1_L) -fragment XXII_exp_N2_2_L - A01S 9.356520 24.360022 10.379150 - A02C 10.338321 22.916929 10.593909 - A03C 9.828037 21.591779 10.631865 - A04S 8.101659 21.201927 10.437720 - A05C 7.661106 22.446240 9.249328 - A06C 8.175143 23.713872 9.218770 - A07C 7.777381 24.639503 8.221491 - A08N 7.450480 25.425428 7.417749 - A09C 6.684429 22.045641 8.306617 - A10N 5.835053 21.722566 7.570299 - A11N 10.688455 20.614577 10.841289 - A12S 12.211957 21.245925 11.063445 - A13C 11.710930 22.898476 10.799452 - A14C 12.601229 23.985713 10.792420 - A15N 13.346096 24.886741 10.760770 - -fragment XXII_exp_N2_1_L - A01S -6.509027 -0.703872 4.315925 - A02C -5.527225 0.739221 4.530684 - A03C -6.037509 2.064371 4.568640 - A04S -7.763887 2.454224 4.374495 - A05C -8.204440 1.209911 3.186103 - A06C -7.690404 -0.057721 3.155545 - A07C -8.088167 -0.983352 2.158266 - A08N -8.415068 -1.769277 1.354524 - A09C -9.181118 1.610511 2.243393 - A10N -10.030494 1.933586 1.507075 - A11N -5.177090 3.041573 4.778064 - A12S -3.653588 2.410224 5.000220 - A13C -4.154616 0.757673 4.736227 - A14C -3.264318 -0.329564 4.729194 - A15N -2.519451 -1.230593 4.697544 - - PAIRWISE ENERGY COMPONENTS (ATOMIC UNITS) - PAIRWISE ELECTROSTATIC ENERGY -0.0000011294 - PAIRWISE POLARIZATION ENERGY -0.0000001393 - PAIRWISE DISPERSION ENERGY -0.0000036522 - PAIRWISE EXCHANGE REPULSION ENERGY -0.0000000000 - PAIRWISE CHARGE PENETRATION ENERGY 0.0000000000 - PAIRWISE TOTAL ENERGY -0.0000049209 - - --------------------------------------------------------- - LATTICE ENERGY COMPONENTS (ATOMIC UNITS) - LATTICE ELECTROSTATIC ENERGY -0.0314930783 - LATTICE POLARIZATION ENERGY -0.0042380789 - LATTICE DISPERSION ENERGY -0.0468152806 - LATTICE EXCHANGE REPULSION ENERGY 0.0053768383 - LATTICE CHARGE PENETRATION ENERGY 0.0000000000 - LATTICE TOTAL ENERGY -0.0771695994 - - - ------ PAIRWISE ENERGY ANALYSIS COMPLETED -------------- - - ENERGY COMPONENTS (ATOMIC UNITS) - - ELECTROSTATIC ENERGY -1.0077783658 - POLARIZATION ENERGY -0.1356187024 - DISPERSION ENERGY -1.4980889525 - EXCHANGE REPULSION ENERGY 0.1720592008 - POINT CHARGES ENERGY 0.0000000000 - CHARGE PENETRATION ENERGY 0.0000000000 - - TOTAL ENERGY -2.4694268199 - - -SINGLE POINT ENERGY JOB COMPLETED SUCCESSFULLY -WALL CLOCK TIME IS Thu Jun 16 15:17:14 2022 -TOTAL RUN TIME IS 0 SECONDS