0 mol 41 unq 0 iso 0 dist 7.10635 12.0084 9.18836 6.0961 6.26099 6.73801 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 7.10635 4.08339 6.07294 6.0961 6.26099 6.42834 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.34804 4.31746 5.63802 5.70192 13.1761 9.0008 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.34804 4.31746 5.63802 9.65433 10.6102 9.77887 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.01516 4.91535 6.64915 9.07582 5.79235 5.9249 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 5.53726 11.0631 7.31426 10.8442 9.81259 7.1539 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 7.40577 3.88006 4.86767 12.8915 10.8755 9.83981 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 7.40577 3.88006 4.86767 9.63389 5.27861 6.13559 numMergedOcc 0
8 mol 114 unq 2 iso 0 dist 7.40577 3.88006 4.86767 6.96057 4.8628 6.51395 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 9.28415 12.541 8.46376 11.1454 6.55605 5.52683 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 9.48667 6.27901 8.68292 9.77771 7.14836 6.50043 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 8.84813 15.7288 9.31172 13.589 8.94838 6.64779 numMergedOcc 0
12 mol 174 unq 0 iso 0 dist 4.77805 4.01137 5.07761 8.3622 6.26251 7.47932 numMergedOcc 0
13 mol 188 unq 0 iso 0 dist 8.94864 5.23385 6.20426 14.5198 9.12244 9.33696 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 8.40718 15.9432 9.23676 14.0483 5.64245 7.10526 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 7.78329 8.97694 9.62583 11.042 5.52229 9.52615 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 8.299 13.5015 7.66302 20.6789 13.6577 9.24367 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 8.55037 7.33654 7.14502 10.9642 6.34998 7.36811 numMergedOcc 0
