0 mol 5 unq 0 iso 0 dist 7.92988 11.5151 8.70824 7.24092 5.2392 11.3755 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.92988 4.25268 5.93404 7.24092 5.2392 5.90479 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.92988 10.2365 6.70655 7.24092 5.2392 4.59167 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 6.30807 12.4266 9.84967 5.03442 8.98564 11.4985 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 6.30807 12.4266 9.84967 8.04261 7.51725 5.56089 numMergedOcc 0
5 mol 30 unq 2 iso 0 dist 8.20049 4.98139 5.62002 9.10395 5.61567 4.95244 numMergedOcc 0
6 mol 30 unq 3 iso 0 dist 8.20049 4.98139 5.62002 8.88132 8.46981 4.89458 numMergedOcc 0
7 mol 41 unq 0 iso 0 dist 8.6783 4.69936 6.51139 10.9738 8.0072 9.28138 numMergedOcc 0
8 mol 41 unq 1 iso 0 dist 8.6783 7.02255 6.91278 10.9738 8.0072 4.98483 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.04935 4.82573 5.55798 9.01045 8.59739 5.71097 numMergedOcc 0
10 mol 81 unq 0 iso 0 dist 8.68497 15.2712 9.80754 9.65919 5.73799 11.4429 numMergedOcc 0
11 mol 81 unq 1 iso 0 dist 8.68497 15.2712 9.80754 11.4056 8.38883 4.54161 numMergedOcc 0
12 mol 81 unq 2 iso 0 dist 8.68497 13.2452 8.9672 9.65919 5.73799 3.82386 numMergedOcc 0
13 mol 81 unq 3 iso 0 dist 8.68497 13.2452 8.9672 11.4056 8.38883 11.9686 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.21127 5.73904 5.73946 10.4345 6.31773 5.34438 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 8.87505 4.66619 5.74058 11.1633 5.82945 6.5713 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 6.17825 8.7629 9.03261 11.725 9.71835 7.37944 numMergedOcc 0
17 mol 226 unq 1 iso 0 dist 6.17825 8.45224 7.67573 11.725 9.71835 6.30585 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 9.49046 4.61365 8.01777 11.9355 8.7831 12.6648 numMergedOcc 0
19 mol 233 unq 1 iso 0 dist 9.49046 4.61365 8.01777 14.1168 9.61071 13.8023 numMergedOcc 0
20 mol 233 unq 2 iso 0 dist 9.49046 4.61365 8.01777 11.3928 7.1229 8.98854 numMergedOcc 0
21 mol 233 unq 3 iso 0 dist 7.24533 8.61205 8.01777 5.47357 8.7831 12.6648 numMergedOcc 0
22 mol 233 unq 4 iso 0 dist 7.24533 8.61205 8.01777 5.47592 9.61071 13.8023 numMergedOcc 0
23 mol 233 unq 5 iso 0 dist 7.24533 8.61205 8.01777 3.67394 7.1229 8.98854 numMergedOcc 0
24 mol 244 unq 0 iso 0 dist 7.00974 11.3038 9.06357 5.9726 9.11416 16.2635 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 7.98579 4.51435 9.73763 7.20921 8.41945 5.75039 numMergedOcc 0
