A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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410 lines
31 KiB

TITLE Great Red Owns Many ACres of Sand
REMARK THIS IS A SIMULATION BOX
CRYST1 16.228 16.228 16.228 90.00 90.00 90.00 P 1 1
MODEL 1
ATOM 1 O SLV 1 7.068 -0.064 2.242 1.00 0.00 O
ATOM 2 H SLV 1 7.794 0.563 2.215 1.00 0.00 H
ATOM 3 H1 SLV 1 6.258 0.443 2.323 1.00 0.00 H
ATOM 4 O SLV 2 3.909 1.967 6.686 1.00 0.00 O
ATOM 5 H SLV 2 3.642 2.376 5.861 1.00 0.00 H
ATOM 6 H1 SLV 2 4.505 2.578 7.126 1.00 0.00 H
ATOM 7 O SLV 3 0.418 7.582 10.670 1.00 0.00 O
ATOM 8 H SLV 3 0.794 6.820 10.224 1.00 0.00 H
ATOM 9 H1 SLV 3 0.296 7.341 11.590 1.00 0.00 H
ATOM 10 O SLV 4 3.254 10.576 9.761 1.00 0.00 O
ATOM 11 H SLV 4 2.541 10.916 9.216 1.00 0.00 H
ATOM 12 H1 SLV 4 2.904 9.830 10.252 1.00 0.00 H
ATOM 13 O SLV 5 0.857 9.878 0.224 1.00 0.00 O
ATOM 14 H SLV 5 0.398 9.041 0.309 1.00 0.00 H
ATOM 15 H1 SLV 5 0.336 10.536 0.690 1.00 0.00 H
ATOM 16 O SLV 6 0.580 9.538 16.472 1.00 0.00 O
ATOM 17 H SLV 6 0.451 10.488 16.434 1.00 0.00 H
ATOM 18 H1 SLV 6 1.527 9.380 16.454 1.00 0.00 H
ATOM 19 O SLV 7 1.027 8.325 7.935 1.00 0.00 O
ATOM 20 H SLV 7 1.233 9.174 7.538 1.00 0.00 H
ATOM 21 H1 SLV 7 0.332 7.926 7.407 1.00 0.00 H
ATOM 22 O SLV 8 12.396 8.186 1.122 1.00 0.00 O
ATOM 23 H SLV 8 11.481 7.917 1.226 1.00 0.00 H
ATOM 24 H1 SLV 8 12.399 9.137 0.992 1.00 0.00 H
ATOM 25 O SLV 9 5.323 15.765 14.980 1.00 0.00 O
ATOM 26 H SLV 9 6.212 16.055 14.764 1.00 0.00 H
ATOM 27 H1 SLV 9 5.405 14.983 15.530 1.00 0.00 H
ATOM 28 O SLV 10 13.472 13.069 9.788 1.00 0.00 O
ATOM 29 H SLV 10 14.353 13.435 9.885 1.00 0.00 H
ATOM 30 H1 SLV 10 13.529 12.360 9.144 1.00 0.00 H
ATOM 31 O SLV 11 10.287 13.471 2.882 1.00 0.00 O
ATOM 32 H SLV 11 10.513 12.661 2.420 1.00 0.00 H
ATOM 33 H1 SLV 11 10.699 13.428 3.748 1.00 0.00 H
ATOM 34 O SLV 12 1.344 12.749 6.983 1.00 0.00 O
ATOM 35 H SLV 12 0.639 13.317 7.301 1.00 0.00 H
ATOM 36 H1 SLV 12 1.001 11.853 6.965 1.00 0.00 H
ATOM 37 O SLV 13 6.962 13.624 0.562 1.00 0.00 O
ATOM 38 H SLV 13 7.847 13.472 0.225 1.00 0.00 H
ATOM 39 H1 SLV 13 6.536 12.767 0.635 1.00 0.00 H
ATOM 40 O SLV 14 11.530 7.808 9.791 1.00 0.00 O
ATOM 41 H SLV 14 11.084 7.013 10.090 1.00 0.00 H
ATOM 42 H1 SLV 14 12.287 7.531 9.272 1.00 0.00 H
ATOM 43 O SLV 15 15.147 5.079 0.544 1.00 0.00 O
ATOM 44 H SLV 15 14.256 5.139 0.896 1.00 0.00 H
ATOM 45 H1 SLV 15 15.703 4.721 1.239 1.00 0.00 H
ATOM 46 O SLV 16 11.608 1.228 7.259 1.00 0.00 O
ATOM 47 H SLV 16 12.086 0.557 7.749 1.00 0.00 H
ATOM 48 H1 SLV 16 10.895 0.786 6.793 1.00 0.00 H
ATOM 49 O SLV 17 5.220 8.235 16.066 1.00 0.00 O
ATOM 50 H SLV 17 5.895 7.727 16.520 1.00 0.00 H
ATOM 51 H1 SLV 17 4.376 7.999 16.458 1.00 0.00 H
ATOM 52 O SLV 18 2.243 2.587 15.269 1.00 0.00 O
ATOM 53 H SLV 18 2.222 3.096 16.082 1.00 0.00 H
ATOM 54 H1 SLV 18 2.176 1.662 15.512 1.00 0.00 H
ATOM 55 O SLV 19 7.015 12.949 4.379 1.00 0.00 O
ATOM 56 H SLV 19 6.726 13.647 4.970 1.00 0.00 H
ATOM 57 H1 SLV 19 7.709 13.315 3.826 1.00 0.00 H
ATOM 58 O SLV 20 3.397 0.305 2.425 1.00 0.00 O
ATOM 59 H SLV 20 3.654 1.077 2.934 1.00 0.00 H
ATOM 60 H1 SLV 20 3.583 0.498 1.504 1.00 0.00 H
ATOM 61 O SLV 21 3.139 8.592 2.578 1.00 0.00 O
ATOM 62 H SLV 21 2.463 8.223 2.006 1.00 0.00 H
ATOM 63 H1 SLV 21 3.753 7.884 2.785 1.00 0.00 H
ATOM 64 O SLV 22 10.257 13.532 16.456 1.00 0.00 O
ATOM 65 H SLV 22 10.534 12.614 16.456 1.00 0.00 H
ATOM 66 H1 SLV 22 9.299 13.539 16.399 1.00 0.00 H
ATOM 67 O SLV 23 0.905 4.867 1.431 1.00 0.00 O
ATOM 68 H SLV 23 0.328 5.268 0.778 1.00 0.00 H
ATOM 69 H1 SLV 23 0.858 3.917 1.306 1.00 0.00 H
ATOM 70 O SLV 24 3.058 4.307 9.682 1.00 0.00 O
ATOM 71 H SLV 24 2.298 4.518 10.228 1.00 0.00 H
ATOM 72 H1 SLV 24 3.736 4.957 9.876 1.00 0.00 H
ATOM 73 O SLV 25 5.357 9.944 11.491 1.00 0.00 O
ATOM 74 H SLV 25 4.901 10.640 11.968 1.00 0.00 H
ATOM 75 H1 SLV 25 6.269 9.945 11.789 1.00 0.00 H
ATOM 76 O SLV 26 1.279 0.130 6.353 1.00 0.00 O
ATOM 77 H SLV 26 0.452 0.019 6.826 1.00 0.00 H
ATOM 78 H1 SLV 26 1.988 0.022 6.990 1.00 0.00 H
ATOM 79 O SLV 27 15.659 12.435 14.452 1.00 0.00 O
ATOM 80 H SLV 27 16.099 12.421 13.599 1.00 0.00 H
ATOM 81 H1 SLV 27 15.552 13.356 14.701 1.00 0.00 H
ATOM 82 O SLV 28 16.002 10.355 8.513 1.00 0.00 O
ATOM 83 H SLV 28 16.568 9.600 8.339 1.00 0.00 H
ATOM 84 H1 SLV 28 16.572 11.086 8.760 1.00 0.00 H
ATOM 85 O SLV 29 6.231 11.669 8.034 1.00 0.00 O
ATOM 86 H SLV 29 5.655 12.417 7.862 1.00 0.00 H
ATOM 87 H1 SLV 29 6.369 11.629 8.983 1.00 0.00 H
ATOM 88 O SLV 30 5.348 10.323 0.211 1.00 0.00 O
ATOM 89 H SLV 30 6.208 9.945 0.405 1.00 0.00 H
ATOM 90 H1 SLV 30 4.692 9.769 0.639 1.00 0.00 H
ATOM 91 O SLV 31 12.091 0.818 13.106 1.00 0.00 O
ATOM 92 H SLV 31 12.306 0.154 12.448 1.00 0.00 H
ATOM 93 H1 SLV 31 11.285 1.252 12.820 1.00 0.00 H
ATOM 94 O SLV 32 6.334 13.735 13.206 1.00 0.00 O
ATOM 95 H SLV 32 7.067 13.623 13.814 1.00 0.00 H
ATOM 96 H1 SLV 32 5.660 13.099 13.453 1.00 0.00 H
ATOM 97 O SLV 33 4.095 5.063 15.383 1.00 0.00 O
ATOM 98 H SLV 33 4.813 5.634 15.104 1.00 0.00 H
ATOM 99 H1 SLV 33 3.883 5.296 16.290 1.00 0.00 H
ATOM 100 O SLV 34 14.483 2.344 9.291 1.00 0.00 O
ATOM 101 H SLV 34 15.266 2.885 9.412 1.00 0.00 H
ATOM 102 H1 SLV 34 14.781 1.446 9.128 1.00 0.00 H
ATOM 103 O SLV 35 16.443 0.117 3.194 1.00 0.00 O
ATOM 104 H SLV 35 15.612 0.089 3.671 1.00 0.00 H
ATOM 105 H1 SLV 35 16.568 1.021 2.894 1.00 0.00 H
ATOM 106 O SLV 36 0.908 15.340 15.468 1.00 0.00 O
ATOM 107 H SLV 36 0.526 15.906 14.794 1.00 0.00 H
ATOM 108 H1 SLV 36 0.437 15.514 16.286 1.00 0.00 H
ATOM 109 O SLV 37 13.345 3.991 16.388 1.00 0.00 O
ATOM 110 H SLV 37 13.699 3.397 15.723 1.00 0.00 H
ATOM 111 H1 SLV 37 13.951 4.731 16.459 1.00 0.00 H
ATOM 112 O SLV 38 13.176 11.737 16.405 1.00 0.00 O
ATOM 113 H SLV 38 14.034 11.309 16.378 1.00 0.00 H
ATOM 114 H1 SLV 38 13.182 12.427 15.738 1.00 0.00 H
ATOM 115 O SLV 39 10.454 11.252 8.762 1.00 0.00 O
ATOM 116 H SLV 39 9.574 10.969 9.019 1.00 0.00 H
ATOM 117 H1 SLV 39 10.986 10.461 8.652 1.00 0.00 H
ATOM 118 O SLV 40 3.768 13.979 1.163 1.00 0.00 O
ATOM 119 H SLV 40 3.497 13.951 2.082 1.00 0.00 H
ATOM 120 H1 SLV 40 3.015 13.700 0.637 1.00 0.00 H
ATOM 121 O SLV 41 6.719 0.104 7.711 1.00 0.00 O
ATOM 122 H SLV 41 7.058 0.994 7.604 1.00 0.00 H
ATOM 123 H1 SLV 41 5.796 0.118 7.450 1.00 0.00 H
ATOM 124 O SLV 42 1.077 9.818 13.778 1.00 0.00 O
ATOM 125 H SLV 42 0.714 8.931 13.794 1.00 0.00 H
ATOM 126 H1 SLV 42 0.339 10.425 13.689 1.00 0.00 H
ATOM 127 O SLV 43 10.850 16.167 3.941 1.00 0.00 O
ATOM 128 H SLV 43 9.899 16.249 3.843 1.00 0.00 H
ATOM 129 H1 SLV 43 11.021 15.925 4.853 1.00 0.00 H
ATOM 130 O SLV 44 2.018 0.576 12.789 1.00 0.00 O
ATOM 131 H SLV 44 1.240 0.020 12.707 1.00 0.00 H
ATOM 132 H1 SLV 44 1.716 1.486 12.805 1.00 0.00 H
ATOM 133 O SLV 45 1.108 12.378 11.051 1.00 0.00 O
ATOM 134 H SLV 45 0.849 12.831 10.247 1.00 0.00 H
ATOM 135 H1 SLV 45 0.333 11.918 11.380 1.00 0.00 H
ATOM 136 O SLV 46 11.357 14.973 8.711 1.00 0.00 O
ATOM 137 H SLV 46 10.796 14.198 8.645 1.00 0.00 H
ATOM 138 H1 SLV 46 11.015 15.624 8.094 1.00 0.00 H
ATOM 139 O SLV 47 0.985 1.297 3.540 1.00 0.00 O
ATOM 140 H SLV 47 0.573 0.482 3.245 1.00 0.00 H
ATOM 141 H1 SLV 47 0.332 1.994 3.447 1.00 0.00 H
ATOM 142 O SLV 48 8.687 16.252 0.572 1.00 0.00 O
ATOM 143 H SLV 48 8.675 15.805 1.421 1.00 0.00 H
ATOM 144 H1 SLV 48 7.793 16.223 0.224 1.00 0.00 H
ATOM 145 O SLV 49 5.406 1.075 14.566 1.00 0.00 O
ATOM 146 H SLV 49 5.152 0.217 14.220 1.00 0.00 H
ATOM 147 H1 SLV 49 4.684 1.679 14.383 1.00 0.00 H
ATOM 148 O SLV 50 9.023 0.537 15.079 1.00 0.00 O
ATOM 149 H SLV 50 8.598 0.018 15.764 1.00 0.00 H
ATOM 150 H1 SLV 50 9.762 0.020 14.749 1.00 0.00 H
ATOM 151 O SLV 51 12.005 5.622 14.627 1.00 0.00 O
ATOM 152 H SLV 51 12.815 6.034 14.321 1.00 0.00 H
ATOM 153 H1 SLV 51 11.666 6.161 15.345 1.00 0.00 H
ATOM 154 O SLV 52 6.902 5.989 3.905 1.00 0.00 O
ATOM 155 H SLV 52 6.981 6.871 3.536 1.00 0.00 H
ATOM 156 H1 SLV 52 7.710 5.811 4.390 1.00 0.00 H
ATOM 157 O SLV 53 5.007 6.605 0.224 1.00 0.00 O
ATOM 158 H SLV 53 5.720 7.241 0.308 1.00 0.00 H
ATOM 159 H1 SLV 53 4.187 7.102 0.185 1.00 0.00 H
ATOM 160 O SLV 54 11.613 14.493 0.684 1.00 0.00 O
ATOM 161 H SLV 54 11.463 15.294 1.190 1.00 0.00 H
ATOM 162 H1 SLV 54 10.796 14.290 0.223 1.00 0.00 H
ATOM 163 O SLV 55 13.270 7.137 11.810 1.00 0.00 O
ATOM 164 H SLV 55 13.064 7.990 12.198 1.00 0.00 H
ATOM 165 H1 SLV 55 14.164 6.913 12.075 1.00 0.00 H
ATOM 166 O SLV 56 9.528 11.297 0.226 1.00 0.00 O
ATOM 167 H SLV 56 8.874 10.596 0.230 1.00 0.00 H
ATOM 168 H1 SLV 56 10.390 10.882 0.298 1.00 0.00 H
ATOM 169 O SLV 57 15.620 16.250 1.127 1.00 0.00 O
ATOM 170 H SLV 57 14.802 16.156 1.619 1.00 0.00 H
ATOM 171 H1 SLV 57 16.340 16.089 1.741 1.00 0.00 H
ATOM 172 O SLV 58 2.093 11.091 3.047 1.00 0.00 O
ATOM 173 H SLV 58 2.521 11.245 2.202 1.00 0.00 H
ATOM 174 H1 SLV 58 1.314 11.651 3.077 1.00 0.00 H
ATOM 175 O SLV 59 15.337 14.541 3.780 1.00 0.00 O
ATOM 176 H SLV 59 14.732 15.166 4.184 1.00 0.00 H
ATOM 177 H1 SLV 59 15.706 14.007 4.487 1.00 0.00 H
ATOM 178 O SLV 60 4.448 10.534 14.678 1.00 0.00 O
ATOM 179 H SLV 60 3.614 10.077 14.805 1.00 0.00 H
ATOM 180 H1 SLV 60 4.710 10.888 15.530 1.00 0.00 H
ATOM 181 O SLV 61 2.719 16.010 8.483 1.00 0.00 O
ATOM 182 H SLV 61 2.258 15.210 8.741 1.00 0.00 H
ATOM 183 H1 SLV 61 3.560 16.014 8.945 1.00 0.00 H
ATOM 184 O SLV 62 3.334 15.152 5.292 1.00 0.00 O
ATOM 185 H SLV 62 3.287 16.057 4.979 1.00 0.00 H
ATOM 186 H1 SLV 62 4.264 14.931 5.383 1.00 0.00 H
ATOM 187 O SLV 63 9.511 0.233 10.110 1.00 0.00 O
ATOM 188 H SLV 63 9.245 1.155 10.110 1.00 0.00 H
ATOM 189 H1 SLV 63 10.413 0.198 10.434 1.00 0.00 H
ATOM 190 O SLV 64 6.748 2.867 16.467 1.00 0.00 O
ATOM 191 H SLV 64 6.233 3.403 15.861 1.00 0.00 H
ATOM 192 H1 SLV 64 7.670 3.098 16.337 1.00 0.00 H
ATOM 193 O SLV 65 13.675 10.708 13.649 1.00 0.00 O
ATOM 194 H SLV 65 12.772 10.392 13.720 1.00 0.00 H
ATOM 195 H1 SLV 65 13.970 10.525 12.755 1.00 0.00 H
ATOM 196 O SLV 66 1.369 6.538 15.884 1.00 0.00 O
ATOM 197 H SLV 66 1.234 5.623 15.630 1.00 0.00 H
ATOM 198 H1 SLV 66 0.632 6.788 16.446 1.00 0.00 H
ATOM 199 O SLV 67 13.693 1.293 5.272 1.00 0.00 O
ATOM 200 H SLV 67 14.188 1.167 6.084 1.00 0.00 H
ATOM 201 H1 SLV 67 13.211 0.481 5.104 1.00 0.00 H
ATOM 202 O SLV 68 3.643 7.437 12.413 1.00 0.00 O
ATOM 203 H SLV 68 3.174 8.151 12.850 1.00 0.00 H
ATOM 204 H1 SLV 68 3.009 6.982 11.855 1.00 0.00 H
ATOM 205 O SLV 69 12.979 11.835 3.314 1.00 0.00 O
ATOM 206 H SLV 69 13.204 11.161 2.669 1.00 0.00 H
ATOM 207 H1 SLV 69 13.494 12.616 3.100 1.00 0.00 H
ATOM 208 O SLV 70 9.464 4.296 11.838 1.00 0.00 O
ATOM 209 H SLV 70 8.729 3.925 11.346 1.00 0.00 H
ATOM 210 H1 SLV 70 10.093 3.586 11.987 1.00 0.00 H
ATOM 211 O SLV 71 5.411 5.332 12.045 1.00 0.00 O
ATOM 212 H SLV 71 6.108 5.432 12.696 1.00 0.00 H
ATOM 213 H1 SLV 71 4.678 4.891 12.479 1.00 0.00 H
ATOM 214 O SLV 72 6.564 15.729 3.182 1.00 0.00 O
ATOM 215 H SLV 72 5.810 16.251 2.898 1.00 0.00 H
ATOM 216 H1 SLV 72 7.041 16.250 3.832 1.00 0.00 H
ATOM 217 O SLV 73 13.586 3.785 11.659 1.00 0.00 O
ATOM 218 H SLV 73 13.016 4.411 12.110 1.00 0.00 H
ATOM 219 H1 SLV 73 13.154 2.929 11.697 1.00 0.00 H
ATOM 220 O SLV 74 4.198 13.068 10.883 1.00 0.00 O
ATOM 221 H SLV 74 3.563 13.274 10.194 1.00 0.00 H
ATOM 222 H1 SLV 74 4.863 13.759 10.871 1.00 0.00 H
ATOM 223 O SLV 75 14.855 4.568 7.099 1.00 0.00 O
ATOM 224 H SLV 75 14.202 4.129 6.552 1.00 0.00 H
ATOM 225 H1 SLV 75 14.388 4.961 7.839 1.00 0.00 H
ATOM 226 O SLV 76 11.141 4.095 2.631 1.00 0.00 O
ATOM 227 H SLV 76 11.277 3.188 2.349 1.00 0.00 H
ATOM 228 H1 SLV 76 10.269 4.140 3.030 1.00 0.00 H
ATOM 229 O SLV 77 9.442 16.253 12.072 1.00 0.00 O
ATOM 230 H SLV 77 8.568 15.916 12.278 1.00 0.00 H
ATOM 231 H1 SLV 77 9.702 15.874 11.230 1.00 0.00 H
ATOM 232 O SLV 78 4.869 9.283 7.951 1.00 0.00 O
ATOM 233 H SLV 78 5.701 8.898 7.670 1.00 0.00 H
ATOM 234 H1 SLV 78 4.228 8.570 7.999 1.00 0.00 H
ATOM 235 O SLV 79 16.573 2.161 12.194 1.00 0.00 O
ATOM 236 H SLV 79 15.677 2.227 12.531 1.00 0.00 H
ATOM 237 H1 SLV 79 16.552 1.556 11.449 1.00 0.00 H
ATOM 238 O SLV 80 11.947 12.199 5.867 1.00 0.00 O
ATOM 239 H SLV 80 11.291 11.559 6.149 1.00 0.00 H
ATOM 240 H1 SLV 80 12.619 12.237 6.551 1.00 0.00 H
ATOM 241 O SLV 81 7.029 4.418 7.660 1.00 0.00 O
ATOM 242 H SLV 81 6.572 3.933 8.350 1.00 0.00 H
ATOM 243 H1 SLV 81 7.115 3.829 6.908 1.00 0.00 H
ATOM 244 O SLV 82 5.076 6.104 6.709 1.00 0.00 O
ATOM 245 H SLV 82 5.032 5.408 6.049 1.00 0.00 H
ATOM 246 H1 SLV 82 4.426 5.897 7.384 1.00 0.00 H
ATOM 247 O SLV 83 13.908 3.001 3.123 1.00 0.00 O
ATOM 248 H SLV 83 13.811 2.164 2.665 1.00 0.00 H
ATOM 249 H1 SLV 83 14.843 3.120 3.303 1.00 0.00 H
ATOM 250 O SLV 84 15.805 13.655 7.560 1.00 0.00 O
ATOM 251 H SLV 84 14.954 13.571 7.126 1.00 0.00 H
ATOM 252 H1 SLV 84 16.449 13.204 7.010 1.00 0.00 H
ATOM 253 O SLV 85 2.705 13.170 14.868 1.00 0.00 O
ATOM 254 H SLV 85 2.164 12.408 14.650 1.00 0.00 H
ATOM 255 H1 SLV 85 3.022 13.046 15.765 1.00 0.00 H
ATOM 256 O SLV 86 13.627 16.144 7.058 1.00 0.00 O
ATOM 257 H SLV 86 13.691 16.251 8.009 1.00 0.00 H
ATOM 258 H1 SLV 86 14.511 16.252 6.700 1.00 0.00 H
ATOM 259 O SLV 87 2.085 14.713 12.305 1.00 0.00 O
ATOM 260 H SLV 87 2.503 15.196 13.020 1.00 0.00 H
ATOM 261 H1 SLV 87 2.145 15.260 11.519 1.00 0.00 H
ATOM 262 O SLV 88 15.060 15.517 12.121 1.00 0.00 O
ATOM 263 H SLV 88 14.191 15.862 11.908 1.00 0.00 H
ATOM 264 H1 SLV 88 14.955 14.582 12.311 1.00 0.00 H
ATOM 265 O SLV 89 4.363 3.891 2.974 1.00 0.00 O
ATOM 266 H SLV 89 5.169 3.371 2.978 1.00 0.00 H
ATOM 267 H1 SLV 89 4.613 4.801 2.801 1.00 0.00 H
ATOM 268 O SLV 90 5.850 16.240 12.018 1.00 0.00 O
ATOM 269 H SLV 90 4.901 16.231 12.158 1.00 0.00 H
ATOM 270 H1 SLV 90 5.998 16.256 11.070 1.00 0.00 H
ATOM 271 O SLV 91 9.564 7.255 12.369 1.00 0.00 O
ATOM 272 H SLV 91 8.702 6.854 12.493 1.00 0.00 H
ATOM 273 H1 SLV 91 10.163 6.841 12.994 1.00 0.00 H
ATOM 274 O SLV 92 11.734 5.444 4.957 1.00 0.00 O
ATOM 275 H SLV 92 12.537 5.649 4.474 1.00 0.00 H
ATOM 276 H1 SLV 92 11.814 4.541 5.269 1.00 0.00 H
ATOM 277 O SLV 93 0.331 3.520 6.950 1.00 0.00 O
ATOM 278 H SLV 93 0.606 3.883 7.794 1.00 0.00 H
ATOM 279 H1 SLV 93 0.963 2.837 6.715 1.00 0.00 H
ATOM 280 O SLV 94 14.602 8.497 15.866 1.00 0.00 O
ATOM 281 H SLV 94 14.935 7.632 16.112 1.00 0.00 H
ATOM 282 H1 SLV 94 14.084 8.385 15.066 1.00 0.00 H
ATOM 283 O SLV 95 11.134 2.425 15.915 1.00 0.00 O
ATOM 284 H SLV 95 10.918 2.801 15.060 1.00 0.00 H
ATOM 285 H1 SLV 95 10.353 2.504 16.466 1.00 0.00 H
ATOM 286 O SLV 96 14.826 13.769 0.245 1.00 0.00 O
ATOM 287 H SLV 96 15.628 13.244 0.225 1.00 0.00 H
ATOM 288 H1 SLV 96 14.086 13.158 0.225 1.00 0.00 H
ATOM 289 O SLV 97 2.454 1.425 9.310 1.00 0.00 O
ATOM 290 H SLV 97 1.536 1.656 9.155 1.00 0.00 H
ATOM 291 H1 SLV 97 2.651 1.641 10.224 1.00 0.00 H
ATOM 292 O SLV 98 16.535 9.552 12.567 1.00 0.00 O
ATOM 293 H SLV 98 16.567 9.203 13.460 1.00 0.00 H
ATOM 294 H1 SLV 98 16.072 8.908 12.027 1.00 0.00 H
ATOM 295 O SLV 99 4.056 3.806 0.244 1.00 0.00 O
ATOM 296 H SLV 99 3.675 2.927 0.217 1.00 0.00 H
ATOM 297 H1 SLV 99 3.329 4.432 0.208 1.00 0.00 H
ATOM 298 O SLV 100 8.323 5.126 14.599 1.00 0.00 O
ATOM 299 H SLV 100 9.250 4.971 14.791 1.00 0.00 H
ATOM 300 H1 SLV 100 7.966 5.643 15.325 1.00 0.00 H
ATOM 301 C URA 101 9.843 11.420 11.716 1.00 0.00 C
ATOM 302 O URA 101 8.865 10.802 12.069 1.00 0.00 O
ATOM 303 N URA 101 9.834 12.771 11.527 1.00 0.00 N
ATOM 304 N1 URA 101 11.048 10.825 11.476 1.00 0.00 N
ATOM 305 H URA 101 8.974 13.261 11.690 1.00 0.00 H
ATOM 306 H1 URA 101 10.641 13.290 11.236 1.00 0.00 H
ATOM 307 H2 URA 101 11.112 9.831 11.600 1.00 0.00 H
ATOM 308 H3 URA 101 11.862 11.332 11.184 1.00 0.00 H
ATOM 309 C URA 102 8.147 1.896 4.589 1.00 0.00 C
ATOM 310 O URA 102 8.163 3.099 4.460 1.00 0.00 O
ATOM 311 N URA 102 9.267 1.126 4.472 1.00 0.00 N
ATOM 312 N1 URA 102 7.008 1.197 4.866 1.00 0.00 N
ATOM 313 H URA 102 10.134 1.589 4.270 1.00 0.00 H
ATOM 314 H1 URA 102 9.261 0.130 4.579 1.00 0.00 H
ATOM 315 H2 URA 102 6.153 1.714 4.963 1.00 0.00 H
ATOM 316 H3 URA 102 6.989 0.201 4.975 1.00 0.00 H
ATOM 317 C URA 103 8.172 9.239 14.748 1.00 0.00 C
ATOM 318 O URA 103 7.382 8.430 14.318 1.00 0.00 O
ATOM 319 N URA 103 9.337 8.880 15.361 1.00 0.00 N
ATOM 320 N1 URA 103 7.971 10.586 14.661 1.00 0.00 N
ATOM 321 H URA 103 9.536 7.901 15.452 1.00 0.00 H
ATOM 322 H1 URA 103 9.995 9.545 15.719 1.00 0.00 H
ATOM 323 H2 URA 103 7.130 10.907 14.219 1.00 0.00 H
ATOM 324 H3 URA 103 8.622 11.261 15.015 1.00 0.00 H
ATOM 325 C URA 104 16.103 9.651 2.082 1.00 0.00 C
ATOM 326 O URA 104 16.298 10.753 2.542 1.00 0.00 O
ATOM 327 N URA 104 15.688 9.449 0.798 1.00 0.00 N
ATOM 328 N1 URA 104 16.280 8.507 2.805 1.00 0.00 N
ATOM 329 H URA 104 15.542 10.256 0.221 1.00 0.00 H
ATOM 330 H1 URA 104 15.525 8.539 0.411 1.00 0.00 H
ATOM 331 H2 URA 104 16.585 8.596 3.756 1.00 0.00 H
ATOM 332 H3 URA 104 16.120 7.591 2.430 1.00 0.00 H
ATOM 333 C URA 105 7.752 4.246 0.864 1.00 0.00 C
ATOM 334 O URA 105 6.943 5.007 1.345 1.00 0.00 O
ATOM 335 N URA 105 9.045 4.604 0.614 1.00 0.00 N
ATOM 336 N1 URA 105 7.448 2.959 0.529 1.00 0.00 N
ATOM 337 H URA 105 9.323 5.540 0.843 1.00 0.00 H
ATOM 338 H1 URA 105 9.720 3.979 0.217 1.00 0.00 H
ATOM 339 H2 URA 105 6.510 2.642 0.691 1.00 0.00 H
ATOM 340 H3 URA 105 8.114 2.324 0.131 1.00 0.00 H
ATOM 341 C URA 106 8.041 7.875 9.349 1.00 0.00 C
ATOM 342 O URA 106 8.747 8.558 10.055 1.00 0.00 O
ATOM 343 N URA 106 8.322 7.633 8.036 1.00 0.00 N
ATOM 344 N1 URA 106 6.897 7.283 9.800 1.00 0.00 N
ATOM 345 H URA 106 9.152 8.043 7.652 1.00 0.00 H
ATOM 346 H1 URA 106 7.741 7.068 7.446 1.00 0.00 H
ATOM 347 H2 URA 106 6.641 7.429 10.759 1.00 0.00 H
ATOM 348 H3 URA 106 6.307 6.717 9.221 1.00 0.00 H
ATOM 349 C URA 107 9.732 9.422 4.408 1.00 0.00 C
ATOM 350 O URA 107 10.316 10.341 3.882 1.00 0.00 O
ATOM 351 N URA 107 8.444 9.519 4.847 1.00 0.00 N
ATOM 352 N1 URA 107 10.307 8.201 4.611 1.00 0.00 N
ATOM 353 H URA 107 7.972 10.395 4.723 1.00 0.00 H
ATOM 354 H1 URA 107 7.955 8.761 5.283 1.00 0.00 H
ATOM 355 H2 URA 107 11.255 8.073 4.307 1.00 0.00 H
ATOM 356 H3 URA 107 9.829 7.435 5.046 1.00 0.00 H
ATOM 357 C URA 108 8.157 15.056 7.147 1.00 0.00 C
ATOM 358 O URA 108 8.314 15.998 6.404 1.00 0.00 O
ATOM 359 N URA 108 7.426 15.136 8.296 1.00 0.00 N
ATOM 360 N1 URA 108 8.696 13.826 6.905 1.00 0.00 N
ATOM 361 H URA 108 7.005 16.018 8.523 1.00 0.00 H
ATOM 362 H1 URA 108 7.292 14.359 8.915 1.00 0.00 H
ATOM 363 H2 URA 108 9.245 13.711 6.073 1.00 0.00 H
ATOM 364 H3 URA 108 8.570 13.042 7.516 1.00 0.00 H
ATOM 365 C URA 109 14.376 8.101 5.876 1.00 0.00 C
ATOM 366 O URA 109 14.981 7.143 5.452 1.00 0.00 O
ATOM 367 N URA 109 13.789 9.023 5.060 1.00 0.00 N
ATOM 368 N1 URA 109 14.224 8.348 7.209 1.00 0.00 N
ATOM 369 H URA 109 13.869 8.890 4.069 1.00 0.00 H
ATOM 370 H1 URA 109 13.286 9.819 5.405 1.00 0.00 H
ATOM 371 H2 URA 109 14.637 7.701 7.856 1.00 0.00 H
ATOM 372 H3 URA 109 13.724 9.140 7.567 1.00 0.00 H
ATOM 373 C URA 110 6.611 0.984 10.997 1.00 0.00 C
ATOM 374 O URA 110 6.799 -0.077 10.447 1.00 0.00 O
ATOM 375 N URA 110 5.796 1.949 10.481 1.00 0.00 N
ATOM 376 N1 URA 110 7.196 1.315 12.185 1.00 0.00 N
ATOM 377 H URA 110 5.339 1.758 9.609 1.00 0.00 H
ATOM 378 H1 URA 110 5.635 2.829 10.932 1.00 0.00 H
ATOM 379 H2 URA 110 7.807 0.642 12.610 1.00 0.00 H
ATOM 380 H3 URA 110 7.044 2.192 12.645 1.00 0.00 H
ATOM 381 C URA 111 10.338 3.735 8.177 1.00 0.00 C
ATOM 382 O URA 111 9.520 2.867 7.977 1.00 0.00 O
ATOM 383 N URA 111 11.367 3.590 9.061 1.00 0.00 N
ATOM 384 N1 URA 111 10.310 4.939 7.536 1.00 0.00 N
ATOM 385 H URA 111 11.437 2.723 9.560 1.00 0.00 H
ATOM 386 H1 URA 111 12.049 4.305 9.231 1.00 0.00 H
ATOM 387 H2 URA 111 9.574 5.100 6.874 1.00 0.00 H
ATOM 388 H3 URA 111 10.985 5.662 7.698 1.00 0.00 H
ATOM 389 C URA 112 1.751 5.910 5.176 1.00 0.00 C
ATOM 390 O URA 112 2.312 5.065 5.835 1.00 0.00 O
ATOM 391 N URA 112 0.781 5.611 4.264 1.00 0.00 N
ATOM 392 N1 URA 112 2.033 7.240 5.284 1.00 0.00 N
ATOM 393 H URA 112 0.533 4.646 4.144 1.00 0.00 H
ATOM 394 H1 URA 112 0.311 6.305 3.715 1.00 0.00 H
ATOM 395 H2 URA 112 2.739 7.518 5.941 1.00 0.00 H
ATOM 396 H3 URA 112 1.571 7.945 4.741 1.00 0.00 H
ATOM 397 C URA 113 4.713 10.412 4.522 1.00 0.00 C
ATOM 398 O URA 113 4.580 9.430 5.216 1.00 0.00 O
ATOM 399 N URA 113 4.132 11.610 4.819 1.00 0.00 N
ATOM 400 N1 URA 113 5.457 10.413 3.378 1.00 0.00 N
ATOM 401 H URA 113 3.574 11.666 5.651 1.00 0.00 H
ATOM 402 H1 URA 113 4.239 12.427 4.249 1.00 0.00 H
ATOM 403 H2 URA 113 5.908 9.558 3.111 1.00 0.00 H
ATOM 404 H3 URA 113 5.571 11.224 2.799 1.00 0.00 H
TER
ENDMDL