0 mol 39 unq 0 iso 0 dist 7.92518 8.61287 5.16998 6.8989 6.13351 9.15135 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.26763 7.82966 7.00818 9.40625 9.77084 11.6733 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 8.26763 6.30814 6.48468 9.40625 9.77084 6.5551 numMergedOcc 0
3 mol 79 unq 2 iso 0 dist 8.26763 7.318 13.1821 9.40625 9.77084 14.6122 numMergedOcc 0
4 mol 79 unq 3 iso 0 dist 7.79538 8.4416 7.11515 4.39227 8.02443 11.5917 numMergedOcc 0
5 mol 79 unq 4 iso 0 dist 7.79538 8.4416 7.11515 8.32896 9.09458 11.3093 numMergedOcc 0
6 mol 79 unq 5 iso 0 dist 6.30814 7.82966 5.16215 9.40625 6.5551 11.6733 numMergedOcc 0
7 mol 79 unq 6 iso 0 dist 6.30814 8.26763 6.48468 9.40625 6.5551 9.77084 numMergedOcc 0
8 mol 79 unq 7 iso 0 dist 6.30814 7.318 9.61175 9.40625 6.5551 14.6122 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 7.95751 5.39002 3.3724 4.1584 7.42144 6.27658 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 5.39002 7.95751 3.3724 4.1584 6.27658 7.42144 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.76579 9.47168 3.55199 10.1869 8.86449 10.4753 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 8.18217 5.51167 13.6611 6.6467 9.85438 9.42807 numMergedOcc 0
13 mol 168 unq 1 iso 0 dist 5.51167 8.18217 13.6611 6.6467 9.42807 9.85438 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 9.20541 6.65077 10.558 8.71774 6.22742 13.3723 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 6.65077 9.20541 10.558 7.07871 9.24936 15.9401 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 7.80421 9.71107 10.6482 10.4519 9.68477 14.4048 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 7.80421 9.7449 12.6352 10.4519 9.68477 16.5912 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 9.70462 9.65132 16.3767 14.1084 8.57119 19.3594 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 7.99441 6.71817 3.58181 4.07008 8.43195 8.23406 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 7.99441 8.41524 8.23638 4.07008 8.43195 11.1518 numMergedOcc 0
21 mol 222 unq 2 iso 0 dist 6.71817 7.99441 3.58181 4.07008 8.23406 8.43195 numMergedOcc 0
22 mol 222 unq 3 iso 0 dist 6.71817 8.41524 4.79329 4.07008 8.23406 11.1518 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 9.63325 8.67283 5.26492 12.0583 8.62162 11.0147 numMergedOcc 0
