0 mol 1 unq 0 iso 0 dist 8.40848 8.27735 6.35409 6.03793 7.90928 8.56884 8.7275 5.06184 4.50502 5.96833 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.3793 7.25179 5.53103 6.62605 11.2859 6.85412 12.539 9.84735 5.84314 9.71516 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.3793 7.25179 5.53103 4.75933 10.6683 6.33889 12.539 9.84735 5.84314 9.81658 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.42206 7.34549 5.3315 7.23551 9.97117 6.73162 13.5781 12.2008 7.11305 9.96121 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.66602 9.72289 5.3315 8.34836 9.97117 6.73162 14.7493 12.2008 7.11305 9.96121 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.7385 7.63534 6.35022 6.55474 10.6559 8.19682 12.9361 13.8866 15.4159 9.4866 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 8.21127 5.11612 6.75472 5.39389 13.1716 7.76729 9.21978 12.6105 6.63111 8.0168 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 7.99121 5.22628 6.59772 5.26498 12.7883 7.64585 9.26505 12.8905 6.95773 7.65255 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 6.30982 5.22628 4.86477 5.26498 10.1292 7.64585 9.26505 11.7277 6.95773 7.65255 numMergedOcc 0
9 mol 115 unq 3 iso 0 dist 6.12404 5.22628 5.24961 5.26498 5.58063 7.64585 9.26505 8.29196 6.95773 7.65255 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.59311 8.94909 14.4095 11.1266 15.7784 7.92688 19.7175 24.4152 14.8533 9.10003 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.22456 8.94909 17.145 11.1266 20.0402 7.92688 19.7175 28.8338 14.8533 9.10003 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 5.7232 8.94909 5.37072 11.1266 11.5756 7.92688 19.7175 19.4466 14.8533 9.10003 numMergedOcc 0
13 mol 173 unq 0 iso 0 dist 7.76856 9.09857 10.6484 9.00192 9.56248 8.31897 11.0639 15.8873 8.63452 8.62366 numMergedOcc 0
14 mol 173 unq 1 iso 0 dist 7.76856 9.09857 10.6484 9.00192 9.56248 8.31897 12.2224 14.9274 4.83786 9.44973 numMergedOcc 0
15 mol 173 unq 2 iso 0 dist 7.76856 9.09857 10.6484 9.00192 9.56248 8.31897 5.82174 9.35913 3.74688 6.52508 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 5.08796 6.43406 4.3158 4.56814 6.17129 4.93785 11.1968 7.19461 6.8757 9.09234 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 5.08796 6.43406 4.3158 4.56814 6.17129 4.93785 9.45579 9.77747 5.71898 6.76746 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 5.08796 6.43406 4.3158 4.56814 6.17129 4.93785 11.3781 10.0615 5.83796 8.92098 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 5.93515 6.43406 4.3226 4.56814 5.83596 4.93785 11.1968 11.195 6.8757 9.09234 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 5.93515 6.43406 4.3226 4.56814 5.83596 4.93785 9.45579 4.76079 5.71898 6.76746 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 5.93515 6.43406 4.3226 4.56814 5.83596 4.93785 11.3781 6.38851 5.83796 8.92098 numMergedOcc 0
22 mol 197 unq 0 iso 0 dist 8.61953 9.14737 10.5326 7.69844 8.32685 8.99696 12.0075 15.7632 17.0276 9.27218 numMergedOcc 0
23 mol 197 unq 1 iso 0 dist 7.91999 9.14737 5.29309 7.69844 6.74777 8.99696 12.0075 15.6628 17.0276 9.27218 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 8.38547 8.79626 10.504 12.9417 16.0053 7.32211 17.4504 17.2378 10.7187 7.02029 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 8.92585 6.51823 10.7712 6.04481 6.24435 7.2766 13.6578 11.7967 10.0605 8.69525 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 8.93002 6.20344 9.79538 12.9748 13.1236 7.48005 14.558 9.99649 10.282 8.84648 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 8.93002 6.20344 9.79538 12.9748 13.1236 7.48005 13.5375 10.0741 10.067 6.23661 numMergedOcc 0
