0 mol 112 unq 0 iso 0 dist 7.12413 6.88696 4.22481 5.96497 6.12922 7.31064 numMergedOcc 0
1 mol 143 unq 0 iso 0 dist 5.90772 5.44814 5.43382 12.4579 14.6265 9.29944 numMergedOcc 0
2 mol 178 unq 0 iso 0 dist 5.20764 6.95432 5.88866 6.12844 9.87734 7.86352 numMergedOcc 0
3 mol 195 unq 0 iso 0 dist 9.30817 9.75756 4.89429 9.26568 5.87439 8.22795 numMergedOcc 0
4 mol 195 unq 1 iso 0 dist 8.55725 5.08438 4.18074 4.65091 9.32333 6.396 numMergedOcc 0
5 mol 195 unq 2 iso 0 dist 8.73175 5.08438 5.37131 4.65091 11.5686 6.396 numMergedOcc 0
6 mol 206 unq 0 iso 0 dist 8.42763 5.83021 3.99908 5.84459 13.1287 9.95026 numMergedOcc 0
7 mol 206 unq 1 iso 0 dist 8.42763 5.83021 3.99908 4.25315 12.3695 9.09594 numMergedOcc 0
8 mol 217 unq 0 iso 0 dist 6.97993 8.46235 6.59014 9.18805 10.5667 9.37602 numMergedOcc 0
9 mol 217 unq 1 iso 0 dist 6.97993 8.46235 6.59014 6.07874 11.0798 8.26522 numMergedOcc 0
10 mol 217 unq 2 iso 0 dist 9.96798 5.27487 12.1561 13.3672 21.5 9.37602 numMergedOcc 0
11 mol 217 unq 3 iso 0 dist 9.96798 5.27487 12.1561 8.6943 18.3769 8.26522 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 8.56735 5.07975 12.3533 6.84149 13.2079 8.14294 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 8.56735 4.85015 11.2534 6.84149 13.2079 5.72 numMergedOcc 0
14 mol 222 unq 2 iso 0 dist 8.56735 8.15345 11.2047 6.84149 13.2079 6.84052 numMergedOcc 0
15 mol 222 unq 3 iso 0 dist 8.56735 8.15345 11.2047 12.7709 17.8653 9.58086 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 8.60471 8.31344 4.47008 13.0354 9.85304 6.03081 numMergedOcc 0
17 mol 235 unq 1 iso 0 dist 8.60471 8.31344 4.47008 10.4953 10.6744 7.41433 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 6.8391 5.63226 10.0013 5.35498 10.7875 9.02537 numMergedOcc 0
19 mol 273 unq 1 iso 0 dist 6.06557 5.63226 4.42663 5.35498 9.35749 9.02537 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.73204 8.18813 12.2659 13.3706 15.7984 7.16209 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 6.73204 8.18813 12.2659 12.1739 15.544 4.62936 numMergedOcc 0
