0 mol 37 unq 0 iso 0 dist 9.72316 9.72228 13.4792 9.22395 6.82081 17.0247 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 7.93754 6.43163 13.6733 13.4621 6.7939 18.1628 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.93754 6.43163 13.6733 8.33212 8.44695 10.3491 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 7.93754 6.43163 13.6733 7.67132 5.68894 13.5708 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 5.99206 7.4615 4.43841 6.08772 5.92836 4.73804 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 7.4615 5.99206 4.43841 6.08772 4.73804 5.92836 numMergedOcc 0
6 mol 151 unq 0 iso 0 dist 7.18715 8.59734 4.78271 7.07893 7.93343 5.89468 numMergedOcc 0
7 mol 151 unq 1 iso 0 dist 8.59734 7.18715 4.78271 4.78977 9.79321 10.3029 numMergedOcc 0
8 mol 151 unq 2 iso 0 dist 8.59734 7.18715 4.78271 7.07893 5.89468 7.93343 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 7.74832 8.32121 4.97909 9.35875 6.95133 11.4825 numMergedOcc 0
10 mol 172 unq 0 iso 0 dist 7.25403 7.42796 12.0109 6.14701 9.21942 10.9728 numMergedOcc 0
11 mol 172 unq 1 iso 0 dist 5.54659 9.56872 10.1227 9.57335 7.44084 7.77643 numMergedOcc 0
12 mol 172 unq 2 iso 0 dist 5.54659 9.56872 10.1227 5.65586 5.28889 4.90175 numMergedOcc 0
13 mol 172 unq 3 iso 0 dist 9.56872 5.54659 10.1227 9.57335 7.77643 7.44084 numMergedOcc 0
14 mol 172 unq 4 iso 0 dist 9.56872 5.54659 10.1227 5.65586 4.90175 5.28889 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 7.89794 8.18023 10.2577 13.469 7.89026 17.403 numMergedOcc 0
16 mol 198 unq 1 iso 0 dist 7.89794 9.35692 4.48153 13.469 7.89026 11.3091 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 4.50513 7.71855 5.04495 8.25613 8.44356 13.4817 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 4.50513 7.71855 5.04495 8.25613 8.44356 13.4817 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 4.50513 7.71855 5.04495 8.25613 8.44356 13.4817 numMergedOcc 0
