0 mol 12 unq 0 iso 0 dist 4.62913 7.8865 6.98179 9.79847 11.1357 8.10227 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.44542 7.8865 6.9065 9.79847 5.03514 8.10227 numMergedOcc 0
2 mol 35 unq 0 iso 0 dist 6.16132 9.466 8.72582 9.33969 4.60958 7.01426 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.41134 6.65344 6.34748 8.35477 5.98891 3.98306 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 9.23605 6.65344 13.0793 8.35477 12.9983 3.98306 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.1662 8.94945 7.01367 8.28839 10.507 4.27178 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 9.1662 8.94945 7.01367 7.07396 15.191 11.6765 numMergedOcc 0
7 mol 71 unq 0 iso 0 dist 7.28815 9.50139 5.87956 9.47964 7.82219 11.9362 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.09675 8.67532 6.97502 9.762 5.75925 5.9144 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 9.02302 8.69069 5.76815 9.70292 11.2771 7.26851 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 9.02302 8.69069 5.76815 9.59704 7.06511 9.13016 numMergedOcc 0
11 mol 95 unq 2 iso 0 dist 9.02302 9.65047 13.209 9.70292 11.2771 14.2178 numMergedOcc 0
12 mol 95 unq 3 iso 0 dist 9.02302 9.65047 13.209 9.59704 7.06511 8.78079 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 6.36357 4.99966 5.54757 4.49975 9.08021 4.65519 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 9.00166 8.7366 6.04014 9.98509 9.86197 4.04586 numMergedOcc 0
15 mol 132 unq 1 iso 0 dist 7.16287 8.7366 10.0823 9.98509 9.21191 4.04586 numMergedOcc 0
16 mol 154 unq 0 iso 0 dist 7.63904 7.26897 6.03387 5.06116 5.93188 5.68978 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.87685 9.07872 17.4802 7.90991 6.62649 13.2135 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 5.6568 6.11137 6.49831 9.94117 7.69003 10.5937 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 5.6568 7.89744 6.81625 9.94117 7.69003 14.162 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 9.67311 7.36905 11.6328 9.13546 11.1913 5.71153 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 9.67311 7.36905 11.6328 8.7365 6.40869 6.87635 numMergedOcc 0
22 mol 264 unq 2 iso 0 dist 9.67311 6.83408 6.28828 9.13546 11.1913 6.56539 numMergedOcc 0
23 mol 264 unq 3 iso 0 dist 9.67311 6.83408 6.28828 8.7365 6.40869 4.76241 numMergedOcc 0
