0 mol 25 unq 0 iso 0 dist 6.6492 9.01548 9.12941 7.45383 11.7817 12.6805 4.70708 8.5404 6.63839 10.7875 numMergedOcc 0
1 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 9.25558 11.2516 14.5627 7.90484 13.784 9.2235 17.1418 numMergedOcc 0
2 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 8.91301 15.0315 4.30566 10.0989 18.4236 6.97487 10.3291 numMergedOcc 0
3 mol 143 unq 1 iso 0 dist 8.41611 7.78652 15.0801 8.91301 15.0315 4.30566 6.01455 13.143 6.46089 10.1154 numMergedOcc 0
4 mol 143 unq 2 iso 0 dist 7.63338 7.78652 11.5146 8.91301 13.434 4.30566 10.0989 14.6045 6.97487 10.3291 numMergedOcc 0
5 mol 143 unq 3 iso 0 dist 7.63338 7.78652 11.5146 8.91301 13.434 4.30566 6.01455 8.1582 6.46089 10.1154 numMergedOcc 0
6 mol 143 unq 4 iso 0 dist 9.03707 7.78652 8.97873 8.91301 6.29542 4.30566 10.0989 15.2846 6.97487 10.3291 numMergedOcc 0
7 mol 143 unq 5 iso 0 dist 9.03707 7.78652 8.97873 8.91301 6.29542 4.30566 6.01455 12.5074 6.46089 10.1154 numMergedOcc 0
8 mol 143 unq 6 iso 0 dist 7.25673 7.78652 6.60479 8.91301 7.54337 4.30566 10.0989 12.4241 6.97487 10.3291 numMergedOcc 0
9 mol 143 unq 7 iso 0 dist 7.25673 7.78652 6.60479 8.91301 7.54337 4.30566 6.01455 7.88655 6.46089 10.1154 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 6.22055 7.89336 4.32771 10.2478 8.12589 8.73468 9.73927 numMergedOcc 0
11 mol 148 unq 1 iso 0 dist 9.74542 6.22055 7.89336 9.91993 7.23332 4.32771 10.2478 8.12589 9.73927 8.73468 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 6.14675 7.86976 4.39943 10.2318 8.11592 8.73558 9.66129 numMergedOcc 0
13 mol 150 unq 1 iso 0 dist 9.6606 9.96691 7.35366 9.24244 11.8012 5.93611 10.2318 8.11592 8.73558 12.6576 numMergedOcc 0
14 mol 150 unq 2 iso 0 dist 9.6606 6.14675 7.86976 9.96691 7.35366 4.39943 10.2318 8.11592 9.66129 8.73558 numMergedOcc 0
15 mol 150 unq 3 iso 0 dist 9.6606 6.14675 7.86976 9.24244 11.8012 4.30207 10.2318 8.11592 9.66129 12.6576 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 7.73169 7.30357 8.40261 8.61587 12.8796 6.12113 5.07967 7.04913 7.30946 11.3161 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 5.38091 7.30357 12.4049 8.61587 11.7015 6.12113 5.07967 9.51582 7.30946 11.3161 numMergedOcc 0
18 mol 159 unq 0 iso 0 dist 7.25742 9.17787 10.3427 8.4858 7.97232 7.73341 6.49376 11.9236 6.72852 8.52082 numMergedOcc 0
19 mol 159 unq 1 iso 0 dist 7.25742 8.4858 7.97232 9.17787 10.3427 7.73341 4.57561 7.13269 5.9032 10.4588 numMergedOcc 0
20 mol 159 unq 2 iso 0 dist 7.25742 8.4858 7.97232 9.17787 10.3427 7.73341 6.49376 11.9236 8.52082 6.72852 numMergedOcc 0
21 mol 188 unq 0 iso 0 dist 8.57261 8.10214 5.87427 7.14503 5.0782 9.01338 12.0548 7.48284 9.33696 11.4648 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 8.83356 6.72379 7.50057 8.29382 12.361 6.7294 5.38925 9.77862 9.3402 13.132 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 8.03442 5.41321 4.59123 7.43071 12.8075 11.362 6.43754 7.1372 7.57454 12.2922 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 9.007 7.32499 5.76537 6.30154 7.82953 10.0708 5.9221 12.0926 7.43663 11.6166 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 9.007 7.32499 5.76537 6.30154 7.82953 10.0708 13.2297 12.9449 7.94068 16.7407 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 8.69104 10.2777 6.25098 5.11565 10.1049 8.90076 6.62002 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 6.66971 7.57812 4.77308 8.69104 10.2777 6.25098 13.0842 9.42618 6.87131 9.69818 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 6.66971 7.57812 4.77308 8.69104 10.2777 6.25098 13.171 12.0846 8.09718 6.73446 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 6.66971 8.69104 10.2777 7.57812 4.77308 6.25098 5.11565 10.1049 6.62002 8.90076 numMergedOcc 0
30 mol 238 unq 4 iso 0 dist 6.66971 8.69104 10.2777 7.57812 4.77308 6.25098 13.0842 9.42618 9.69818 6.87131 numMergedOcc 0
31 mol 238 unq 5 iso 0 dist 6.66971 8.69104 10.2777 7.57812 4.77308 6.25098 13.171 12.0846 6.73446 8.09718 numMergedOcc 0
