0 mol 81 unq 0 iso 0 dist 6.80165 9.78763 5.6505 7.94697 5.53904 4.52409 numMergedOcc 0
1 mol 81 unq 1 iso 0 dist 6.80165 9.61137 10.7222 7.94697 5.53904 5.89527 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 8.44588 8.29371 10.1671 9.27028 3.7042 8.9451 numMergedOcc 0
3 mol 113 unq 1 iso 0 dist 9.16474 5.6738 12.566 6.38269 9.30891 4.62493 numMergedOcc 0
4 mol 113 unq 2 iso 0 dist 9.16474 5.6738 12.566 7.11196 7.62615 6.47997 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 7.30776 9.17864 5.47938 9.08322 5.90666 10.3493 numMergedOcc 0
6 mol 136 unq 0 iso 0 dist 5.95839 5.14751 4.33075 6.99374 7.8989 5.34588 numMergedOcc 0
7 mol 169 unq 0 iso 0 dist 9.28392 6.47837 8.81423 6.18165 13.6106 6.05322 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 4.60553 9.99263 9.98694 5.23992 3.71345 9.45671 numMergedOcc 0
9 mol 176 unq 1 iso 0 dist 4.60553 9.99263 9.98694 7.91974 6.55919 10.3205 numMergedOcc 0
10 mol 176 unq 2 iso 0 dist 4.60553 9.99263 9.98694 9.1617 7.10617 14.6487 numMergedOcc 0
11 mol 176 unq 3 iso 0 dist 7.06005 8.27087 8.61203 6.32254 3.75017 5.64063 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 9.21721 8.65437 9.27656 6.15671 6.46348 9.66765 numMergedOcc 0
13 mol 253 unq 0 iso 0 dist 8.18538 5.9811 5.49064 8.34984 9.06758 9.47332 numMergedOcc 0
14 mol 278 unq 0 iso 0 dist 4.8627 8.28751 5.01656 8.69111 7.14333 3.39646 numMergedOcc 0
15 mol 278 unq 1 iso 0 dist 5.41035 8.28751 5.4029 8.69111 5.40345 3.39646 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 8.62338 7.64453 6.80232 7.96707 3.76412 3.39991 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 8.62338 7.64453 6.80232 7.96707 3.76412 3.39991 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 8.62338 7.64453 6.80232 7.96707 3.76412 3.39991 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 9.03579 9.52749 14.3928 9.32126 12.1296 17.6548 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 9.03579 9.52749 14.3928 9.38111 12.718 18.8418 numMergedOcc 0
21 mol 294 unq 2 iso 0 dist 9.03579 9.52749 14.3928 9.14005 13.7631 15.3439 numMergedOcc 0
22 mol 294 unq 3 iso 0 dist 9.03579 9.83186 8.9098 9.32126 12.1296 5.68702 numMergedOcc 0
23 mol 294 unq 4 iso 0 dist 9.03579 9.83186 8.9098 9.38111 12.718 6.09749 numMergedOcc 0
24 mol 294 unq 5 iso 0 dist 9.03579 9.83186 8.9098 9.14005 13.7631 9.92253 numMergedOcc 0
