0 mol 61 unq 0 iso 0 dist 7.63526 11.9454 9.25641 8.05989 7.46994 5.94559 18.4407 12.7481 9.22002 11.535 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 6.02731 4.05764 4.74544 7.29999 6.04903 5.49555 4.85282 7.46975 8.1599 8.84323 numMergedOcc 0
2 mol 181 unq 0 iso 0 dist 9.89987 5.10258 6.22122 13.7713 9.06217 10.5753 13.1737 12.0718 9.58911 8.45395 numMergedOcc 0
3 mol 181 unq 1 iso 0 dist 9.89987 5.10258 6.22122 9.77651 7.13252 5.88819 13.1737 12.0718 9.58911 5.41368 numMergedOcc 0
4 mol 181 unq 2 iso 0 dist 9.91457 11.9245 5.94469 9.29611 7.05653 6.7991 12.378 6.78739 9.84952 6.17129 numMergedOcc 0
5 mol 192 unq 0 iso 0 dist 9.71614 9.58683 8.77999 5.10844 7.33225 5.71262 17.6782 11.0516 9.90531 14.1636 numMergedOcc 0
6 mol 192 unq 1 iso 0 dist 8.81185 10.9985 8.77999 5.36014 7.33225 5.71262 18.3634 11.0516 9.90531 14.1636 numMergedOcc 0
7 mol 232 unq 0 iso 0 dist 8.70651 9.88635 8.50102 14.7996 7.17337 8.78722 8.15743 6.36084 7.70279 9.61294 numMergedOcc 0
8 mol 232 unq 1 iso 0 dist 8.70651 5.08111 9.40808 14.7996 7.17337 13.5597 8.15743 6.36084 9.29752 9.61294 numMergedOcc 0
9 mol 234 unq 0 iso 0 dist 9.45787 5.19951 7.32499 5.04225 7.43663 5.9221 5.67249 11.1213 7.46434 10.1461 numMergedOcc 0
10 mol 234 unq 1 iso 0 dist 9.45787 5.19951 7.32499 5.04225 7.43663 5.9221 12.2496 10.6488 7.50424 10.6033 numMergedOcc 0
11 mol 234 unq 2 iso 0 dist 9.45787 5.19951 7.32499 12.3321 7.94068 13.2297 5.67249 11.1213 7.46434 15.1226 numMergedOcc 0
12 mol 234 unq 3 iso 0 dist 9.45787 5.19951 7.32499 12.3321 7.94068 13.2297 12.2496 10.6488 7.50424 17.1235 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 6.38654 6.89249 8.94014 12.2552 7.04753 10.8635 14.4186 16.2294 9.32451 15.2492 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 9.77185 9.71057 8.94014 5.27441 7.04753 10.8635 14.1871 16.2294 9.32451 15.2492 numMergedOcc 0
15 mol 243 unq 0 iso 0 dist 7.24253 6.54531 7.49645 5.32118 7.12785 5.70464 5.1766 3.87679 6.86162 7.77265 numMergedOcc 0
16 mol 243 unq 1 iso 0 dist 7.24253 6.54531 7.49645 11.4546 6.66959 7.83758 5.1766 3.87679 6.86162 9.65322 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 9.98231 6.00315 7.98231 11.4659 8.71497 11.6195 12.6191 5.61261 8.06771 13.1236 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 9.98231 5.69584 7.08526 11.4659 8.71497 5.79468 11.678 8.74892 9.54857 10.5864 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 6.99454 5.26386 6.71375 7.27547 5.40318 4.65134 11.1606 10.7881 7.04833 10.322 numMergedOcc 0
