0 mol 44 unq 0 iso 0 dist 9.52676 12.8173 5.81645 9.32021 7.03307 5.75226 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 7.3797 4.39946 8.67118 8.99948 8.91427 11.7387 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.25276 13.6156 9.61367 6.38454 6.66954 8.88275 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 8.7389 6.66677 4.73362 11.5471 9.75201 7.18485 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 8.7389 4.88793 7.3795 11.5471 9.75201 12.7451 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.43804 10.991 8.48678 12.4403 8.43352 13.9427 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 8.22984 5.65432 6.36749 6.16378 9.5669 10.3606 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 6.6157 6.03516 6.36749 5.69359 9.5669 10.3606 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 7.37771 7.70606 6.36749 10.1726 9.5669 10.3606 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.10479 10.0595 9.57532 8.3604 7.91683 8.70712 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.10479 12.3404 8.61574 8.3604 7.91683 6.89245 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 9.14007 11.026 8.61279 5.74529 6.94988 11.0112 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 9.45931 15.773 7.38183 12.0446 6.73983 10.8036 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 9.45931 15.773 7.38183 15.1652 8.6387 12.1363 numMergedOcc 0
14 mol 141 unq 3 iso 0 dist 6.49728 6.1421 7.38183 6.27844 6.73983 10.8036 numMergedOcc 0
15 mol 141 unq 4 iso 0 dist 6.49728 6.1421 7.38183 6.2491 8.6387 12.1363 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 6.97467 13.9009 8.32841 7.94812 7.46845 14.911 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 6.97467 11.549 6.56065 7.94812 7.46845 11.1159 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 9.90113 8.75166 8.24791 8.33753 7.58035 4.45888 numMergedOcc 0
19 mol 162 unq 1 iso 0 dist 9.90113 8.75166 8.24791 9.62474 8.21989 7.98745 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 6.21588 10.0976 6.62013 10.2224 5.91727 6.80235 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 9.20651 5.27976 6.82883 11.576 6.26945 7.21532 numMergedOcc 0
22 mol 226 unq 1 iso 0 dist 9.20651 4.67471 8.22518 11.576 6.26945 12.0613 numMergedOcc 0
23 mol 226 unq 2 iso 0 dist 9.20651 13.1475 6.02803 11.576 6.26945 10.6196 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 8.85568 9.94292 8.91452 5.98086 7.95359 5.98458 numMergedOcc 0
