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506 lines (506 loc) · 38.8 KB
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TITLE Great Red Oystrich Makes All Chemists Sane
REMARK THIS IS A SIMULATION BOX
CRYST1 100.000 100.000 100.000 90.00 90.00 90.00 P 1 1
MODEL 1
HETATM 1 S1 THI 1 41.947 19.029 38.816 1.00 0.00 S
HETATM 2 C2 THI 1 41.501 20.713 38.842 1.00 0.00 C
HETATM 3 C3 THI 1 40.364 20.926 38.149 1.00 0.00 C
HETATM 4 C4 THI 1 39.803 19.697 37.583 1.00 0.00 C
HETATM 5 C5 THI 1 40.546 18.605 37.867 1.00 0.00 C
HETATM 6 H3 THI 1 39.873 21.880 38.119 1.00 0.00 H
HETATM 7 CT1 THI 1 38.828 19.722 36.587 1.00 0.00 C
HETATM 8 CT2 THI 1 37.595 20.547 36.943 1.00 0.00 C
HETATM 9 CT3 THI 1 36.949 20.004 38.210 1.00 0.00 C
HETATM 10 CT4 THI 1 35.799 20.922 38.634 1.00 0.00 C
HETATM 11 CT5 THI 1 35.200 20.403 39.939 1.00 0.00 C
HETATM 12 CT6 THI 1 33.720 20.819 40.025 1.00 0.00 C
HETATM 13 H11 THI 1 39.262 20.127 35.697 1.00 0.00 H
HETATM 14 H12 THI 1 38.519 18.717 36.389 1.00 0.00 H
HETATM 15 H21 THI 1 37.883 21.565 37.101 1.00 0.00 H
HETATM 16 H22 THI 1 36.892 20.499 36.138 1.00 0.00 H
HETATM 17 H31 THI 1 37.677 19.962 38.992 1.00 0.00 H
HETATM 18 H32 THI 1 36.570 19.021 38.024 1.00 0.00 H
HETATM 19 H41 THI 1 36.169 21.915 38.780 1.00 0.00 H
HETATM 20 H42 THI 1 35.047 20.927 37.873 1.00 0.00 H
HETATM 21 H51 THI 1 35.272 19.336 39.965 1.00 0.00 H
HETATM 22 H52 THI 1 35.736 20.819 40.766 1.00 0.00 H
HETATM 23 H61 THI 1 33.625 21.668 40.670 1.00 0.00 H
HETATM 24 H62 THI 1 33.363 21.071 39.049 1.00 0.00 H
HETATM 25 H63 THI 1 33.144 20.008 40.418 1.00 0.00 H
HETATM 26 S1 THC 2 42.447 23.183 38.609 1.00 0.00 S
HETATM 27 C2 THC 2 43.042 23.966 40.037 1.00 0.00 C
HETATM 28 C3 THC 2 43.233 23.095 41.034 1.00 0.00 C
HETATM 29 C4 THC 2 42.760 21.749 40.726 1.00 0.00 C
HETATM 30 C5 THC 2 42.225 21.704 39.480 1.00 0.00 C
HETATM 31 H3 THC 2 43.622 23.389 42.004 1.00 0.00 H
HETATM 32 CT1 THC 2 42.415 20.854 41.739 1.00 0.00 C
HETATM 33 CT2 THC 2 43.504 20.650 42.790 1.00 0.00 C
HETATM 34 CT3 THC 2 44.782 20.157 42.106 1.00 0.00 C
HETATM 35 CT4 THC 2 45.937 20.171 43.115 1.00 0.00 C
HETATM 36 CT5 THC 2 47.232 19.784 42.391 1.00 0.00 C
HETATM 37 CT6 THC 2 48.435 20.412 43.119 1.00 0.00 C
HETATM 38 H11 THC 2 41.536 21.217 42.227 1.00 0.00 H
HETATM 39 H12 THC 2 42.192 19.907 41.293 1.00 0.00 H
HETATM 40 H21 THC 2 43.699 21.577 43.288 1.00 0.00 H
HETATM 41 H22 THC 2 43.178 19.923 43.505 1.00 0.00 H
HETATM 42 H31 THC 2 45.018 20.800 41.284 1.00 0.00 H
HETATM 43 H32 THC 2 44.633 19.159 41.748 1.00 0.00 H
HETATM 44 H41 THC 2 45.739 19.468 43.897 1.00 0.00 H
HETATM 45 H42 THC 2 46.038 21.151 43.531 1.00 0.00 H
HETATM 46 H51 THC 2 47.198 20.142 41.383 1.00 0.00 H
HETATM 47 H52 THC 2 47.333 18.718 42.387 1.00 0.00 H
HETATM 48 H61 THC 2 49.341 20.105 42.640 1.00 0.00 H
HETATM 49 H62 THC 2 48.356 21.478 43.085 1.00 0.00 H
HETATM 50 H63 THC 2 48.443 20.086 44.138 1.00 0.00 H
HETATM 51 S1 THC 3 42.556 26.083 41.513 1.00 0.00 S
HETATM 52 C2 THC 3 43.253 27.600 41.045 1.00 0.00 C
HETATM 53 C3 THC 3 43.848 27.546 39.848 1.00 0.00 C
HETATM 54 C4 THC 3 43.860 26.203 39.281 1.00 0.00 C
HETATM 55 C5 THC 3 43.229 25.324 40.098 1.00 0.00 C
HETATM 56 H3 THC 3 44.322 28.401 39.381 1.00 0.00 H
HETATM 57 CT1 THC 3 44.783 25.813 38.316 1.00 0.00 C
HETATM 58 CT2 THC 3 44.787 26.710 37.068 1.00 0.00 C
HETATM 59 CT3 THC 3 43.382 26.743 36.465 1.00 0.00 C
HETATM 60 CT4 THC 3 43.338 27.836 35.389 1.00 0.00 C
HETATM 61 CT5 THC 3 41.910 27.962 34.863 1.00 0.00 C
HETATM 62 CT6 THC 3 41.657 29.411 34.408 1.00 0.00 C
HETATM 63 H11 THC 3 45.760 25.829 38.751 1.00 0.00 H
HETATM 64 H12 THC 3 44.559 24.810 38.015 1.00 0.00 H
HETATM 65 H21 THC 3 45.476 26.318 36.348 1.00 0.00 H
HETATM 66 H22 THC 3 45.082 27.701 37.342 1.00 0.00 H
HETATM 67 H31 THC 3 43.157 25.795 36.024 1.00 0.00 H
HETATM 68 H32 THC 3 42.667 26.963 37.230 1.00 0.00 H
HETATM 69 H41 THC 3 43.994 27.575 34.586 1.00 0.00 H
HETATM 70 H42 THC 3 43.646 28.769 35.814 1.00 0.00 H
HETATM 71 H51 THC 3 41.220 27.706 35.639 1.00 0.00 H
HETATM 72 H52 THC 3 41.776 27.300 34.033 1.00 0.00 H
HETATM 73 H61 THC 3 42.532 29.793 33.927 1.00 0.00 H
HETATM 74 H62 THC 3 40.835 29.432 33.723 1.00 0.00 H
HETATM 75 H63 THC 3 41.425 30.018 35.259 1.00 0.00 H
HETATM 76 S1 THC 4 44.681 29.508 42.130 1.00 0.00 S
HETATM 77 C2 THC 4 43.905 30.596 43.228 1.00 0.00 C
HETATM 78 C3 THC 4 42.600 30.320 43.422 1.00 0.00 C
HETATM 79 C4 THC 4 42.153 29.193 42.611 1.00 0.00 C
HETATM 80 C5 THC 4 43.184 28.672 41.900 1.00 0.00 C
HETATM 81 H3 THC 4 41.977 30.848 44.125 1.00 0.00 H
HETATM 82 CT1 THC 4 40.820 29.010 42.264 1.00 0.00 C
HETATM 83 CT2 THC 4 39.869 29.058 43.471 1.00 0.00 C
HETATM 84 CT3 THC 4 40.307 28.044 44.515 1.00 0.00 C
HETATM 85 CT4 THC 4 39.654 28.374 45.852 1.00 0.00 C
HETATM 86 CT5 THC 4 40.246 27.478 46.945 1.00 0.00 C
HETATM 87 CT6 THC 4 40.304 28.258 48.272 1.00 0.00 C
HETATM 88 H11 THC 4 40.718 28.060 41.784 1.00 0.00 H
HETATM 89 H12 THC 4 40.537 29.777 41.573 1.00 0.00 H
HETATM 90 H21 THC 4 39.888 30.039 43.898 1.00 0.00 H
HETATM 91 H22 THC 4 38.875 28.829 43.148 1.00 0.00 H
HETATM 92 H31 THC 4 41.372 28.077 44.620 1.00 0.00 H
HETATM 93 H32 THC 4 40.011 27.063 44.206 1.00 0.00 H
HETATM 94 H41 THC 4 39.836 29.400 46.094 1.00 0.00 H
HETATM 95 H42 THC 4 38.599 28.205 45.784 1.00 0.00 H
HETATM 96 H51 THC 4 41.233 27.178 46.664 1.00 0.00 H
HETATM 97 H52 THC 4 39.630 26.611 47.067 1.00 0.00 H
HETATM 98 H61 THC 4 41.289 28.653 48.410 1.00 0.00 H
HETATM 99 H62 THC 4 39.598 29.062 48.244 1.00 0.00 H
HETATM 100 H63 THC 4 40.066 27.601 49.082 1.00 0.00 H
HETATM 101 S1 THC 5 43.849 33.155 43.723 1.00 0.00 S
HETATM 102 C2 THC 5 45.366 33.896 44.071 1.00 0.00 C
HETATM 103 C3 THC 5 46.325 33.027 44.435 1.00 0.00 C
HETATM 104 C4 THC 5 45.885 31.657 44.282 1.00 0.00 C
HETATM 105 C5 THC 5 44.635 31.619 43.771 1.00 0.00 C
HETATM 106 H3 THC 5 47.151 33.316 45.076 1.00 0.00 H
HETATM 107 CT1 THC 5 46.489 30.578 44.916 1.00 0.00 C
HETATM 108 CT2 THC 5 47.996 30.465 44.645 1.00 0.00 C
HETATM 109 CT3 THC 5 48.262 30.385 43.137 1.00 0.00 C
HETATM 110 CT4 THC 5 49.770 30.447 42.897 1.00 0.00 C
HETATM 111 CT5 THC 5 50.050 30.518 41.394 1.00 0.00 C
HETATM 112 CT6 THC 5 51.493 30.058 41.118 1.00 0.00 C
HETATM 113 H11 THC 5 46.338 30.676 45.971 1.00 0.00 H
HETATM 114 H12 THC 5 46.014 29.678 44.585 1.00 0.00 H
HETATM 115 H21 THC 5 48.374 29.583 45.118 1.00 0.00 H
HETATM 116 H22 THC 5 48.493 31.322 45.047 1.00 0.00 H
HETATM 117 H31 THC 5 47.875 29.464 42.752 1.00 0.00 H
HETATM 118 H32 THC 5 47.786 31.207 42.644 1.00 0.00 H
HETATM 119 H41 THC 5 50.232 29.572 43.303 1.00 0.00 H
HETATM 120 H42 THC 5 50.171 31.316 43.374 1.00 0.00 H
HETATM 121 H51 THC 5 49.366 29.880 40.873 1.00 0.00 H
HETATM 122 H52 THC 5 49.925 31.526 41.055 1.00 0.00 H
HETATM 123 H61 THC 5 51.944 29.731 42.032 1.00 0.00 H
HETATM 124 H62 THC 5 51.482 29.249 40.417 1.00 0.00 H
HETATM 125 H63 THC 5 52.056 30.873 40.713 1.00 0.00 H
HETATM 126 S1 THC 6 46.066 36.140 45.264 1.00 0.00 S
HETATM 127 C2 THC 6 45.718 37.603 44.421 1.00 0.00 C
HETATM 128 C3 THC 6 45.266 37.431 43.176 1.00 0.00 C
HETATM 129 C4 THC 6 45.117 36.025 42.861 1.00 0.00 C
HETATM 130 C5 THC 6 45.457 35.254 43.918 1.00 0.00 C
HETATM 131 H3 THC 6 44.822 38.230 42.598 1.00 0.00 H
HETATM 132 CT1 THC 6 45.045 35.543 41.546 1.00 0.00 C
HETATM 133 CT2 THC 6 44.049 36.307 40.673 1.00 0.00 C
HETATM 134 CT3 THC 6 42.654 36.277 41.313 1.00 0.00 C
HETATM 135 CT4 THC 6 41.785 37.351 40.656 1.00 0.00 C
HETATM 136 CT5 THC 6 40.450 37.451 41.396 1.00 0.00 C
HETATM 137 CT6 THC 6 39.888 38.878 41.250 1.00 0.00 C
HETATM 138 H11 THC 6 46.015 35.616 41.102 1.00 0.00 H
HETATM 139 H12 THC 6 44.757 34.513 41.575 1.00 0.00 H
HETATM 140 H21 THC 6 44.372 37.322 40.573 1.00 0.00 H
HETATM 141 H22 THC 6 44.005 35.851 39.706 1.00 0.00 H
HETATM 142 H31 THC 6 42.735 36.474 42.362 1.00 0.00 H
HETATM 143 H32 THC 6 42.210 35.315 41.163 1.00 0.00 H
HETATM 144 H41 THC 6 42.289 38.294 40.700 1.00 0.00 H
HETATM 145 H42 THC 6 41.607 37.089 39.633 1.00 0.00 H
HETATM 146 H51 THC 6 40.599 37.230 42.432 1.00 0.00 H
HETATM 147 H52 THC 6 39.757 36.751 40.978 1.00 0.00 H
HETATM 148 H61 THC 6 40.659 39.530 40.897 1.00 0.00 H
HETATM 149 H62 THC 6 39.078 38.873 40.551 1.00 0.00 H
HETATM 150 H63 THC 6 39.537 39.221 42.200 1.00 0.00 H
HETATM 151 S1 THC 7 46.746 40.036 44.169 1.00 0.00 S
HETATM 152 C2 THC 7 46.711 41.025 45.586 1.00 0.00 C
HETATM 153 C3 THC 7 46.054 40.464 46.617 1.00 0.00 C
HETATM 154 C4 THC 7 45.561 39.132 46.314 1.00 0.00 C
HETATM 155 C5 THC 7 45.914 38.792 45.060 1.00 0.00 C
HETATM 156 H3 THC 7 46.304 40.725 47.624 1.00 0.00 H
HETATM 157 CT1 THC 7 44.453 38.603 46.970 1.00 0.00 C
HETATM 158 CT2 THC 7 44.672 38.256 48.455 1.00 0.00 C
HETATM 159 CT3 THC 7 45.595 37.042 48.637 1.00 0.00 C
HETATM 160 CT4 THC 7 45.739 36.739 50.122 1.00 0.00 C
HETATM 161 CT5 THC 7 46.522 35.438 50.306 1.00 0.00 C
HETATM 162 CT6 THC 7 46.174 34.818 51.672 1.00 0.00 C
HETATM 163 H11 THC 7 43.655 39.313 46.906 1.00 0.00 H
HETATM 164 H12 THC 7 44.154 37.712 46.459 1.00 0.00 H
HETATM 165 H21 THC 7 45.108 39.100 48.948 1.00 0.00 H
HETATM 166 H22 THC 7 43.726 38.042 48.905 1.00 0.00 H
HETATM 167 H31 THC 7 46.557 37.259 48.222 1.00 0.00 H
HETATM 168 H32 THC 7 45.173 36.194 48.139 1.00 0.00 H
HETATM 169 H41 THC 7 46.261 37.540 50.600 1.00 0.00 H
HETATM 170 H42 THC 7 44.768 36.636 50.560 1.00 0.00 H
HETATM 171 H51 THC 7 46.263 34.753 49.527 1.00 0.00 H
HETATM 172 H52 THC 7 47.571 35.645 50.265 1.00 0.00 H
HETATM 173 H61 THC 7 46.969 35.006 52.362 1.00 0.00 H
HETATM 174 H62 THC 7 45.270 35.255 52.042 1.00 0.00 H
HETATM 175 H63 THC 7 46.040 33.762 51.561 1.00 0.00 H
HETATM 176 S1 THC 8 46.307 43.547 46.219 1.00 0.00 S
HETATM 177 C2 THC 8 47.745 44.392 46.672 1.00 0.00 C
HETATM 178 C3 THC 8 48.863 43.879 46.132 1.00 0.00 C
HETATM 179 C4 THC 8 48.589 42.620 45.465 1.00 0.00 C
HETATM 180 C5 THC 8 47.311 42.247 45.656 1.00 0.00 C
HETATM 181 H3 THC 8 49.857 44.190 46.414 1.00 0.00 H
HETATM 182 CT1 THC 8 49.373 42.197 44.403 1.00 0.00 C
HETATM 183 CT2 THC 8 49.373 43.182 43.237 1.00 0.00 C
HETATM 184 CT3 THC 8 50.240 42.616 42.116 1.00 0.00 C
HETATM 185 CT4 THC 8 51.685 42.452 42.589 1.00 0.00 C
HETATM 186 CT5 THC 8 52.528 41.978 41.412 1.00 0.00 C
HETATM 187 CT6 THC 8 54.009 42.310 41.673 1.00 0.00 C
HETATM 188 H11 THC 8 50.378 42.069 44.747 1.00 0.00 H
HETATM 189 H12 THC 8 49.004 41.254 44.057 1.00 0.00 H
HETATM 190 H21 THC 8 49.772 44.121 43.560 1.00 0.00 H
HETATM 191 H22 THC 8 48.373 43.320 42.883 1.00 0.00 H
HETATM 192 H31 THC 8 49.855 41.663 41.819 1.00 0.00 H
HETATM 193 H32 THC 8 50.216 43.284 41.280 1.00 0.00 H
HETATM 194 H41 THC 8 51.726 41.729 43.376 1.00 0.00 H
HETATM 195 H42 THC 8 52.057 43.391 42.943 1.00 0.00 H
HETATM 196 H51 THC 8 52.205 42.472 40.520 1.00 0.00 H
HETATM 197 H52 THC 8 52.415 40.920 41.296 1.00 0.00 H
HETATM 198 H61 THC 8 54.617 41.478 41.386 1.00 0.00 H
HETATM 199 H62 THC 8 54.288 43.170 41.102 1.00 0.00 H
HETATM 200 H63 THC 8 54.150 42.512 42.715 1.00 0.00 H
HETATM 201 S1 THC 9 48.903 45.373 48.779 1.00 0.00 S
HETATM 202 C2 THC 9 48.507 46.991 49.224 1.00 0.00 C
HETATM 203 C3 THC 9 47.388 47.452 48.629 1.00 0.00 C
HETATM 204 C4 THC 9 46.901 46.539 47.598 1.00 0.00 C
HETATM 205 C5 THC 9 47.700 45.451 47.544 1.00 0.00 C
HETATM 206 H3 THC 9 46.876 48.355 48.929 1.00 0.00 H
HETATM 207 CT1 THC 9 46.174 47.001 46.509 1.00 0.00 C
HETATM 208 CT2 THC 9 44.769 47.481 46.870 1.00 0.00 C
HETATM 209 CT3 THC 9 44.009 46.352 47.577 1.00 0.00 C
HETATM 210 CT4 THC 9 42.665 46.882 48.069 1.00 0.00 C
HETATM 211 CT5 THC 9 41.961 45.791 48.876 1.00 0.00 C
HETATM 212 CT6 THC 9 40.440 46.024 48.834 1.00 0.00 C
HETATM 213 H11 THC 9 46.708 47.813 46.061 1.00 0.00 H
HETATM 214 H12 THC 9 46.091 46.210 45.793 1.00 0.00 H
HETATM 215 H21 THC 9 44.839 48.327 47.521 1.00 0.00 H
HETATM 216 H22 THC 9 44.248 47.758 45.978 1.00 0.00 H
HETATM 217 H31 THC 9 44.582 46.002 48.411 1.00 0.00 H
HETATM 218 H32 THC 9 43.846 45.546 46.892 1.00 0.00 H
HETATM 219 H41 THC 9 42.825 47.740 48.688 1.00 0.00 H
HETATM 220 H42 THC 9 42.059 47.154 47.230 1.00 0.00 H
HETATM 221 H51 THC 9 42.187 44.834 48.455 1.00 0.00 H
HETATM 222 H52 THC 9 42.299 45.824 49.891 1.00 0.00 H
HETATM 223 H61 THC 9 40.131 46.530 49.725 1.00 0.00 H
HETATM 224 H62 THC 9 40.193 46.620 47.981 1.00 0.00 H
HETATM 225 H63 THC 9 39.937 45.081 48.768 1.00 0.00 H
HETATM 226 S1 THC 10 49.850 49.192 49.332 1.00 0.00 S
HETATM 227 C2 THC 10 50.677 49.598 50.791 1.00 0.00 C
HETATM 228 C3 THC 10 50.659 48.617 51.716 1.00 0.00 C
HETATM 229 C4 THC 10 49.870 47.479 51.257 1.00 0.00 C
HETATM 230 C5 THC 10 49.353 47.698 50.034 1.00 0.00 C
HETATM 231 H3 THC 10 50.888 48.793 52.761 1.00 0.00 H
HETATM 232 CT1 THC 10 49.699 46.305 51.989 1.00 0.00 C
HETATM 233 CT2 THC 10 50.946 45.801 52.719 1.00 0.00 C
HETATM 234 CT3 THC 10 52.046 45.426 51.716 1.00 0.00 C
HETATM 235 CT4 THC 10 53.297 45.039 52.515 1.00 0.00 C
HETATM 236 CT5 THC 10 54.441 44.720 51.546 1.00 0.00 C
HETATM 237 CT6 THC 10 55.479 43.830 52.253 1.00 0.00 C
HETATM 238 H11 THC 10 48.931 46.472 52.715 1.00 0.00 H
HETATM 239 H12 THC 10 49.369 45.538 51.319 1.00 0.00 H
HETATM 240 H21 THC 10 51.309 46.569 53.369 1.00 0.00 H
HETATM 241 H22 THC 10 50.690 44.939 53.299 1.00 0.00 H
HETATM 242 H31 THC 10 52.263 46.264 51.086 1.00 0.00 H
HETATM 243 H32 THC 10 51.726 44.598 51.120 1.00 0.00 H
HETATM 244 H41 THC 10 53.582 45.852 53.148 1.00 0.00 H
HETATM 245 H42 THC 10 53.086 44.177 53.113 1.00 0.00 H
HETATM 246 H51 THC 10 54.051 44.206 50.692 1.00 0.00 H
HETATM 247 H52 THC 10 54.906 45.632 51.232 1.00 0.00 H
HETATM 248 H61 THC 10 56.309 44.429 52.565 1.00 0.00 H
HETATM 249 H62 THC 10 55.031 43.368 53.107 1.00 0.00 H
HETATM 250 H63 THC 10 55.820 43.074 51.575 1.00 0.00 H
HETATM 251 S1 THC 11 50.775 51.798 52.224 1.00 0.00 S
HETATM 252 C2 THC 11 51.327 53.212 51.409 1.00 0.00 C
HETATM 253 C3 THC 11 51.980 52.947 50.259 1.00 0.00 C
HETATM 254 C4 THC 11 51.947 51.529 49.928 1.00 0.00 C
HETATM 255 C5 THC 11 51.203 50.853 50.842 1.00 0.00 C
HETATM 256 H3 THC 11 52.538 53.677 49.702 1.00 0.00 H
HETATM 257 CT1 THC 11 52.907 50.930 49.109 1.00 0.00 C
HETATM 258 CT2 THC 11 52.969 51.507 47.695 1.00 0.00 C
HETATM 259 CT3 THC 11 51.685 51.219 46.919 1.00 0.00 C
HETATM 260 CT4 THC 11 51.674 52.002 45.610 1.00 0.00 C
HETATM 261 CT5 THC 11 50.357 51.743 44.865 1.00 0.00 C
HETATM 262 CT6 THC 11 50.506 52.174 43.394 1.00 0.00 C
HETATM 263 H11 THC 11 53.866 51.050 49.567 1.00 0.00 H
HETATM 264 H12 THC 11 52.690 49.885 49.040 1.00 0.00 H
HETATM 265 H21 THC 11 53.797 51.072 47.176 1.00 0.00 H
HETATM 266 H22 THC 11 53.111 52.566 47.756 1.00 0.00 H
HETATM 267 H31 THC 11 51.627 50.172 46.706 1.00 0.00 H
HETATM 268 H32 THC 11 50.841 51.507 47.511 1.00 0.00 H
HETATM 269 H41 THC 11 52.496 51.688 45.001 1.00 0.00 H
HETATM 270 H42 THC 11 51.765 53.048 45.820 1.00 0.00 H
HETATM 271 H51 THC 11 50.121 50.700 44.909 1.00 0.00 H
HETATM 272 H52 THC 11 49.571 52.306 45.323 1.00 0.00 H
HETATM 273 H61 THC 11 51.361 51.692 42.966 1.00 0.00 H
HETATM 274 H62 THC 11 49.630 51.892 42.849 1.00 0.00 H
HETATM 275 H63 THC 11 50.633 53.235 43.343 1.00 0.00 H
HETATM 276 S1 THC 12 52.394 55.551 51.967 1.00 0.00 S
HETATM 277 C2 THC 12 51.521 56.554 53.065 1.00 0.00 C
HETATM 278 C3 THC 12 50.251 56.159 53.250 1.00 0.00 C
HETATM 279 C4 THC 12 49.952 54.913 52.566 1.00 0.00 C
HETATM 280 C5 THC 12 51.068 54.437 51.970 1.00 0.00 C
HETATM 281 H3 THC 12 49.569 56.636 53.947 1.00 0.00 H
HETATM 282 CT1 THC 12 48.674 54.628 52.089 1.00 0.00 C
HETATM 283 CT2 THC 12 47.596 54.485 53.168 1.00 0.00 C
HETATM 284 CT3 THC 12 47.961 53.366 54.138 1.00 0.00 C
HETATM 285 CT4 THC 12 46.936 53.299 55.270 1.00 0.00 C
HETATM 286 CT5 THC 12 47.384 52.261 56.299 1.00 0.00 C
HETATM 287 CT6 THC 12 46.837 52.644 57.687 1.00 0.00 C
HETATM 288 H11 THC 12 48.382 55.414 51.423 1.00 0.00 H
HETATM 289 H12 THC 12 48.718 53.714 51.535 1.00 0.00 H
HETATM 290 H21 THC 12 47.511 55.405 53.707 1.00 0.00 H
HETATM 291 H22 THC 12 46.659 54.259 52.704 1.00 0.00 H
HETATM 292 H31 THC 12 48.931 53.554 54.549 1.00 0.00 H
HETATM 293 H32 THC 12 47.973 52.432 53.615 1.00 0.00 H
HETATM 294 H41 THC 12 46.859 54.257 55.740 1.00 0.00 H
HETATM 295 H42 THC 12 45.983 53.019 54.873 1.00 0.00 H
HETATM 296 H51 THC 12 48.453 52.230 56.333 1.00 0.00 H
HETATM 297 H52 THC 12 47.008 51.298 56.022 1.00 0.00 H
HETATM 298 H61 THC 12 47.610 53.118 58.256 1.00 0.00 H
HETATM 299 H62 THC 12 46.013 53.317 57.572 1.00 0.00 H
HETATM 300 H63 THC 12 46.509 51.762 58.197 1.00 0.00 H
HETATM 301 S1 THC 13 51.460 59.167 53.573 1.00 0.00 S
HETATM 302 C2 THC 13 52.906 59.872 54.210 1.00 0.00 C
HETATM 303 C3 THC 13 53.845 58.953 54.534 1.00 0.00 C
HETATM 304 C4 THC 13 53.412 57.599 54.226 1.00 0.00 C
HETATM 305 C5 THC 13 52.198 57.609 53.634 1.00 0.00 C
HETATM 306 H3 THC 13 54.873 59.219 54.726 1.00 0.00 H
HETATM 307 CT1 THC 13 53.881 56.490 54.929 1.00 0.00 C
HETATM 308 CT2 THC 13 55.399 56.322 54.893 1.00 0.00 C
HETATM 309 CT3 THC 13 55.897 56.236 53.454 1.00 0.00 C
HETATM 310 CT4 THC 13 57.401 56.482 53.458 1.00 0.00 C
HETATM 311 CT5 THC 13 57.911 56.681 52.038 1.00 0.00 C
HETATM 312 CT6 THC 13 59.444 56.832 52.060 1.00 0.00 C
HETATM 313 H11 THC 13 53.574 56.580 55.949 1.00 0.00 H
HETATM 314 H12 THC 13 53.432 55.611 54.514 1.00 0.00 H
HETATM 315 H21 THC 13 55.667 55.426 55.413 1.00 0.00 H
HETATM 316 H22 THC 13 55.858 57.160 55.375 1.00 0.00 H
HETATM 317 H31 THC 13 55.692 55.263 53.057 1.00 0.00 H
HETATM 318 H32 THC 13 55.411 56.980 52.857 1.00 0.00 H
HETATM 319 H41 THC 13 57.896 55.640 53.896 1.00 0.00 H
HETATM 320 H42 THC 13 57.614 57.357 54.036 1.00 0.00 H
HETATM 321 H51 THC 13 57.644 55.833 51.442 1.00 0.00 H
HETATM 322 H52 THC 13 57.471 57.563 51.622 1.00 0.00 H
HETATM 323 H61 THC 13 59.895 55.876 52.224 1.00 0.00 H
HETATM 324 H62 THC 13 59.777 57.226 51.123 1.00 0.00 H
HETATM 325 H63 THC 13 59.726 57.499 52.848 1.00 0.00 H
HETATM 326 S1 THC 14 53.615 61.875 55.834 1.00 0.00 S
HETATM 327 C2 THC 14 53.283 63.493 55.305 1.00 0.00 C
HETATM 328 C3 THC 14 52.796 63.530 54.048 1.00 0.00 C
HETATM 329 C4 THC 14 52.661 62.201 53.449 1.00 0.00 C
HETATM 330 C5 THC 14 52.997 61.243 54.342 1.00 0.00 C
HETATM 331 H3 THC 14 52.496 64.432 53.549 1.00 0.00 H
HETATM 332 CT1 THC 14 52.753 62.000 52.073 1.00 0.00 C
HETATM 333 CT2 THC 14 51.615 62.611 51.261 1.00 0.00 C
HETATM 334 CT3 THC 14 50.277 62.013 51.693 1.00 0.00 C
HETATM 335 CT4 THC 14 49.139 62.710 50.942 1.00 0.00 C
HETATM 336 CT5 THC 14 47.796 62.159 51.429 1.00 0.00 C
HETATM 337 CT6 THC 14 46.676 62.624 50.480 1.00 0.00 C
HETATM 338 H11 THC 14 53.675 62.422 51.731 1.00 0.00 H
HETATM 339 H12 THC 14 52.773 60.947 51.886 1.00 0.00 H
HETATM 340 H21 THC 14 51.774 62.409 50.222 1.00 0.00 H
HETATM 341 H22 THC 14 51.596 63.669 51.417 1.00 0.00 H
HETATM 342 H31 THC 14 50.264 60.967 51.467 1.00 0.00 H
HETATM 343 H32 THC 14 50.147 62.152 52.745 1.00 0.00 H
HETATM 344 H41 THC 14 49.181 63.763 51.128 1.00 0.00 H
HETATM 345 H42 THC 14 49.240 62.529 49.893 1.00 0.00 H
HETATM 346 H51 THC 14 47.832 61.090 51.441 1.00 0.00 H
HETATM 347 H52 THC 14 47.599 62.520 52.416 1.00 0.00 H
HETATM 348 H61 THC 14 46.978 62.466 49.466 1.00 0.00 H
HETATM 349 H62 THC 14 45.785 62.064 50.677 1.00 0.00 H
HETATM 350 H63 THC 14 46.484 63.665 50.637 1.00 0.00 H
HETATM 351 S1 THC 15 54.460 65.878 55.551 1.00 0.00 S
HETATM 352 C2 THC 15 54.538 66.585 57.139 1.00 0.00 C
HETATM 353 C3 THC 15 53.806 65.884 58.027 1.00 0.00 C
HETATM 354 C4 THC 15 53.181 64.697 57.453 1.00 0.00 C
HETATM 355 C5 THC 15 53.533 64.547 56.156 1.00 0.00 C
HETATM 356 H3 THC 15 53.801 66.103 59.079 1.00 0.00 H
HETATM 357 CT1 THC 15 51.943 64.247 57.919 1.00 0.00 C
HETATM 358 CT2 THC 15 51.947 63.605 59.313 1.00 0.00 C
HETATM 359 CT3 THC 15 52.572 62.205 59.301 1.00 0.00 C
HETATM 360 CT4 THC 15 52.592 61.656 60.738 1.00 0.00 C
HETATM 361 CT5 THC 15 53.199 60.251 60.754 1.00 0.00 C
HETATM 362 CT6 THC 15 53.860 59.993 62.120 1.00 0.00 C
HETATM 363 H11 THC 15 51.271 65.080 57.938 1.00 0.00 H
HETATM 364 H12 THC 15 51.566 63.528 57.223 1.00 0.00 H
HETATM 365 H21 THC 15 52.505 64.229 59.980 1.00 0.00 H
HETATM 366 H22 THC 15 50.940 63.532 59.665 1.00 0.00 H
HETATM 367 H31 THC 15 53.572 62.262 58.924 1.00 0.00 H
HETATM 368 H32 THC 15 51.990 61.558 58.678 1.00 0.00 H
HETATM 369 H41 THC 15 53.179 62.303 61.357 1.00 0.00 H
HETATM 370 H42 THC 15 51.592 61.614 61.116 1.00 0.00 H
HETATM 371 H51 THC 15 53.936 60.172 59.981 1.00 0.00 H
HETATM 372 H52 THC 15 52.429 59.528 60.588 1.00 0.00 H
HETATM 373 H61 THC 15 54.861 60.371 62.110 1.00 0.00 H
HETATM 374 H62 THC 15 53.300 60.488 62.887 1.00 0.00 H
HETATM 375 H63 THC 15 53.878 58.941 62.315 1.00 0.00 H
HETATM 376 S1 THC 16 54.601 69.103 58.136 1.00 0.00 S
HETATM 377 C2 THC 16 56.071 70.016 57.992 1.00 0.00 C
HETATM 378 C3 THC 16 57.034 69.290 57.384 1.00 0.00 C
HETATM 379 C4 THC 16 56.595 67.944 57.022 1.00 0.00 C
HETATM 380 C5 THC 16 55.302 67.727 57.345 1.00 0.00 C
HETATM 381 H3 THC 16 57.962 69.725 57.040 1.00 0.00 H
HETATM 382 CT1 THC 16 57.509 66.890 56.895 1.00 0.00 C
HETATM 383 CT2 THC 16 58.507 67.011 55.740 1.00 0.00 C
HETATM 384 CT3 THC 16 57.783 67.064 54.391 1.00 0.00 C
HETATM 385 CT4 THC 16 58.830 67.159 53.280 1.00 0.00 C
HETATM 386 CT5 THC 16 58.133 67.308 51.925 1.00 0.00 C
HETATM 387 CT6 THC 16 58.691 66.261 50.944 1.00 0.00 C
HETATM 388 H11 THC 16 58.063 66.817 57.808 1.00 0.00 H
HETATM 389 H12 THC 16 56.957 65.982 56.764 1.00 0.00 H
HETATM 390 H21 THC 16 59.164 66.166 55.754 1.00 0.00 H
HETATM 391 H22 THC 16 59.083 67.904 55.865 1.00 0.00 H
HETATM 392 H31 THC 16 57.200 66.176 54.261 1.00 0.00 H
HETATM 393 H32 THC 16 57.144 67.922 54.359 1.00 0.00 H
HETATM 394 H41 THC 16 59.427 66.272 53.277 1.00 0.00 H
HETATM 395 H42 THC 16 59.456 68.009 53.453 1.00 0.00 H
HETATM 396 H51 THC 16 57.081 67.158 52.047 1.00 0.00 H
HETATM 397 H52 THC 16 58.311 68.291 51.540 1.00 0.00 H
HETATM 398 H61 THC 16 59.469 65.704 51.421 1.00 0.00 H
HETATM 399 H62 THC 16 57.906 65.597 50.646 1.00 0.00 H
HETATM 400 H63 THC 16 59.086 66.757 50.081 1.00 0.00 H
HETATM 401 S1 THC 17 57.724 72.365 58.344 1.00 0.00 S
HETATM 402 C2 THC 17 57.039 73.738 59.158 1.00 0.00 C
HETATM 403 C3 THC 17 55.754 73.504 59.505 1.00 0.00 C
HETATM 404 C4 THC 17 55.284 72.180 59.099 1.00 0.00 C
HETATM 405 C5 THC 17 56.252 71.461 58.491 1.00 0.00 C
HETATM 406 H3 THC 17 55.202 74.153 60.169 1.00 0.00 H
HETATM 407 CT1 THC 17 53.925 71.932 58.865 1.00 0.00 C
HETATM 408 CT2 THC 17 53.012 72.019 60.092 1.00 0.00 C
HETATM 409 CT3 THC 17 53.419 70.992 61.153 1.00 0.00 C
HETATM 410 CT4 THC 17 52.461 71.111 62.338 1.00 0.00 C
HETATM 411 CT5 THC 17 52.900 70.162 63.455 1.00 0.00 C
HETATM 412 CT6 THC 17 51.701 69.303 63.900 1.00 0.00 C
HETATM 413 H11 THC 17 53.576 72.638 58.140 1.00 0.00 H
HETATM 414 H12 THC 17 53.831 70.950 58.449 1.00 0.00 H
HETATM 415 H21 THC 17 53.079 73.002 60.510 1.00 0.00 H
HETATM 416 H22 THC 17 52.002 71.833 59.792 1.00 0.00 H
HETATM 417 H31 THC 17 54.420 71.189 61.479 1.00 0.00 H
HETATM 418 H32 THC 17 53.363 70.007 60.741 1.00 0.00 H
HETATM 419 H41 THC 17 52.467 72.117 62.704 1.00 0.00 H
HETATM 420 H42 THC 17 51.472 70.854 62.022 1.00 0.00 H
HETATM 421 H51 THC 17 53.681 69.525 63.096 1.00 0.00 H
HETATM 422 H52 THC 17 53.259 70.732 64.287 1.00 0.00 H
HETATM 423 H61 THC 17 51.534 69.440 64.949 1.00 0.00 H
HETATM 424 H62 THC 17 50.828 69.601 63.358 1.00 0.00 H
HETATM 425 H63 THC 17 51.909 68.271 63.704 1.00 0.00 H
HETATM 426 S1 THC 18 57.103 76.414 60.262 1.00 0.00 S
HETATM 427 C2 THC 18 58.565 77.337 60.093 1.00 0.00 C
HETATM 428 C3 THC 18 59.520 76.621 59.459 1.00 0.00 C
HETATM 429 C4 THC 18 59.080 75.275 59.098 1.00 0.00 C
HETATM 430 C5 THC 18 57.796 75.048 59.448 1.00 0.00 C
HETATM 431 H3 THC 18 60.438 77.063 59.100 1.00 0.00 H
HETATM 432 CT1 THC 18 59.998 74.227 58.945 1.00 0.00 C
HETATM 433 CT2 THC 18 60.971 74.361 57.770 1.00 0.00 C
HETATM 434 CT3 THC 18 60.218 74.419 56.437 1.00 0.00 C
HETATM 435 CT4 THC 18 61.240 74.528 55.305 1.00 0.00 C
HETATM 436 CT5 THC 18 60.515 74.682 53.966 1.00 0.00 C
HETATM 437 CT6 THC 18 61.058 73.645 52.966 1.00 0.00 C
HETATM 438 H11 THC 18 60.572 74.152 59.845 1.00 0.00 H
HETATM 439 H12 THC 18 59.449 73.317 58.820 1.00 0.00 H
HETATM 440 H21 THC 18 61.544 75.258 57.889 1.00 0.00 H
HETATM 441 H22 THC 18 61.633 73.521 57.764 1.00 0.00 H
HETATM 442 H31 THC 18 59.574 75.273 56.425 1.00 0.00 H
HETATM 443 H32 THC 18 59.638 73.529 56.313 1.00 0.00 H
HETATM 444 H41 THC 18 61.866 75.381 55.470 1.00 0.00 H
HETATM 445 H42 THC 18 61.842 73.644 55.283 1.00 0.00 H
HETATM 446 H51 THC 18 59.466 74.524 54.109 1.00 0.00 H
HETATM 447 H52 THC 18 60.678 75.668 53.583 1.00 0.00 H
HETATM 448 H61 THC 18 61.431 74.150 52.098 1.00 0.00 H
HETATM 449 H62 THC 18 61.849 73.089 53.423 1.00 0.00 H
HETATM 450 H63 THC 18 60.271 72.978 52.680 1.00 0.00 H
HETATM 451 S1 THC 19 60.213 79.694 60.426 1.00 0.00 S
HETATM 452 C2 THC 19 59.538 81.056 61.266 1.00 0.00 C
HETATM 453 C3 THC 19 58.262 80.812 61.638 1.00 0.00 C
HETATM 454 C4 THC 19 57.790 79.488 61.232 1.00 0.00 C
HETATM 455 C5 THC 19 58.748 78.779 60.599 1.00 0.00 C
HETATM 456 H3 THC 19 57.721 81.453 62.319 1.00 0.00 H
HETATM 457 CT1 THC 19 56.427 79.234 61.026 1.00 0.00 C
HETATM 458 CT2 THC 19 55.541 79.307 62.272 1.00 0.00 C
HETATM 459 CT3 THC 19 55.976 78.275 63.317 1.00 0.00 C
HETATM 460 CT4 THC 19 55.042 78.379 64.523 1.00 0.00 C
HETATM 461 CT5 THC 19 55.511 77.425 65.624 1.00 0.00 C
HETATM 462 CT6 THC 19 54.326 76.556 66.088 1.00 0.00 C
HETATM 463 H11 THC 19 56.060 79.943 60.314 1.00 0.00 H
HETATM 464 H12 THC 19 56.331 78.255 60.605 1.00 0.00 H
HETATM 465 H21 THC 19 55.610 80.287 62.696 1.00 0.00 H
HETATM 466 H22 THC 19 54.526 79.117 61.992 1.00 0.00 H
HETATM 467 H31 THC 19 56.983 78.475 63.623 1.00 0.00 H
HETATM 468 H32 THC 19 55.917 77.292 62.899 1.00 0.00 H
HETATM 469 H41 THC 19 55.052 79.383 64.896 1.00 0.00 H
HETATM 470 H42 THC 19 54.048 78.120 64.226 1.00 0.00 H
HETATM 471 H51 THC 19 56.288 76.795 65.243 1.00 0.00 H
HETATM 472 H52 THC 19 55.884 77.991 66.452 1.00 0.00 H
HETATM 473 H61 THC 19 54.181 76.685 67.140 1.00 0.00 H
HETATM 474 H62 THC 19 53.441 76.853 65.567 1.00 0.00 H
HETATM 475 H63 THC 19 54.536 75.527 65.880 1.00 0.00 H
HETATM 476 S1 THT 20 59.610 83.722 62.390 1.00 0.00 S
HETATM 477 C2 THT 20 61.063 84.655 62.198 1.00 0.00 C
HETATM 478 C3 THT 20 62.009 83.950 61.539 1.00 0.00 C
HETATM 479 C4 THT 20 61.568 82.604 61.176 1.00 0.00 C
HETATM 480 C5 THT 20 60.293 82.368 61.550 1.00 0.00 C
HETATM 481 H3 THT 20 62.916 84.401 61.164 1.00 0.00 H
HETATM 482 CT1 THT 20 62.489 81.562 60.994 1.00 0.00 C
HETATM 483 CT2 THT 20 63.436 81.712 59.801 1.00 0.00 C
HETATM 484 CT3 THT 20 62.656 81.776 58.485 1.00 0.00 C
HETATM 485 CT4 THT 20 63.653 81.900 57.332 1.00 0.00 C
HETATM 486 CT5 THT 20 62.898 82.061 56.010 1.00 0.00 C
HETATM 487 CT6 THT 20 63.426 81.035 54.991 1.00 0.00 C
HETATM 488 H11 THT 20 63.082 81.483 61.882 1.00 0.00 H
HETATM 489 H12 THT 20 61.942 80.651 60.874 1.00 0.00 H
HETATM 490 H21 THT 20 64.006 82.611 59.915 1.00 0.00 H
HETATM 491 H22 THT 20 64.103 80.875 59.774 1.00 0.00 H
HETATM 492 H31 THT 20 62.006 82.627 58.491 1.00 0.00 H
HETATM 493 H32 THT 20 62.077 80.884 58.366 1.00 0.00 H
HETATM 494 H41 THT 20 64.277 82.755 57.491 1.00 0.00 H
HETATM 495 H42 THT 20 64.259 81.020 57.291 1.00 0.00 H
HETATM 496 H51 THT 20 61.853 81.896 56.174 1.00 0.00 H
HETATM 497 H52 THT 20 63.049 83.051 55.632 1.00 0.00 H
HETATM 498 H61 THT 20 63.778 81.548 54.119 1.00 0.00 H
HETATM 499 H62 THT 20 64.229 80.480 55.427 1.00 0.00 H
HETATM 500 H63 THT 20 62.637 80.366 54.716 1.00 0.00 H
TER
ENDMDL