0 mol 45 unq 0 iso 0 dist 5.90391 5.19805 6.94727 10.5379 7.0262 7.21995 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 5.90391 5.19805 6.94727 14.0326 11.6776 9.62637 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 8.82771 5.48117 6.94727 10.2516 7.0262 7.21995 numMergedOcc 0
3 mol 45 unq 3 iso 0 dist 8.82771 5.48117 6.94727 10.7967 11.6776 9.62637 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.84699 10.0721 6.4154 13.2119 11.5412 7.10439 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.53504 13.2987 6.4154 17.6925 11.5412 7.10439 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 8.41868 4.57308 4.9128 12.3775 5.67736 9.10794 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 9.21999 6.63186 8.33489 11.45 5.45341 6.93279 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 5.34451 9.8187 9.66935 12.5212 9.09491 8.28564 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 6.6175 9.6867 8.9891 12.5005 8.07212 8.39475 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 9.17063 9.61315 9.25763 17.8635 15.3501 8.41245 numMergedOcc 0
11 mol 173 unq 1 iso 0 dist 9.17063 9.61315 9.25763 14.6844 15.5823 6.64779 numMergedOcc 0
12 mol 173 unq 2 iso 0 dist 9.99332 9.61315 9.63102 17.8635 15.9805 8.41245 numMergedOcc 0
13 mol 173 unq 3 iso 0 dist 9.99332 9.61315 9.63102 14.6844 14.7982 6.64779 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.41713 9.60989 9.55672 10.4155 4.45003 6.78758 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 9.05082 12.1713 6.44662 6.95495 4.87605 8.1931 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 7.99145 10.2228 8.34104 6.65275 5.75236 7.57454 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 7.24089 5.06637 5.42845 13.9072 10.6481 9.20749 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 9.29005 5.18671 5.42845 12.12 10.6481 9.20749 numMergedOcc 0
19 mol 274 unq 2 iso 0 dist 8.16746 5.18671 5.62484 12.12 7.09841 9.20749 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.42812 7.4578 6.73204 7.88238 5.10104 6.43034 numMergedOcc 0
