0 mol 29 unq 0 iso 0 dist 7.77822 9.42943 5.23175 9.56672 4.78355 8.02446 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 7.77822 9.42943 5.23175 8.00338 6.65851 11.4567 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.9175 9.27853 4.62339 9.80453 3.42062 7.84827 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 6.80165 8.585 4.3581 7.94697 5.53904 9.75286 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.96016 8.01128 10.4982 5.61418 6.71463 4.05759 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 6.95777 8.2592 4.76694 7.91691 9.06356 11.5904 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.99783 9.66306 4.23705 6.84006 5.90666 7.47617 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 7.30776 8.84182 4.23705 9.08322 5.90666 7.47617 numMergedOcc 0
8 mol 136 unq 0 iso 0 dist 5.95839 9.73117 12.3204 6.99374 7.8989 4.91049 numMergedOcc 0
9 mol 136 unq 1 iso 0 dist 5.95839 8.52183 5.01406 6.99374 7.8989 6.00387 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.44435 8.41938 4.14546 9.3776 5.0146 6.37913 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 4.60553 9.74021 5.51189 5.23992 3.71345 8.5262 numMergedOcc 0
12 mol 176 unq 1 iso 0 dist 4.60553 9.74021 5.51189 7.91974 6.55919 10.6125 numMergedOcc 0
13 mol 176 unq 2 iso 0 dist 4.60553 9.74021 5.51189 9.1617 7.10617 9.81633 numMergedOcc 0
14 mol 249 unq 0 iso 0 dist 5.98732 7.34573 7.89655 5.3865 3.89698 10.5184 numMergedOcc 0
15 mol 294 unq 0 iso 0 dist 9.03579 5.85292 11.5833 9.32126 12.1296 12.6108 numMergedOcc 0
16 mol 294 unq 1 iso 0 dist 9.03579 5.85292 11.5833 9.38111 12.718 14.8518 numMergedOcc 0
17 mol 294 unq 2 iso 0 dist 9.03579 5.85292 11.5833 9.14005 13.7631 10.2032 numMergedOcc 0
