0 mol 60 unq 0 iso 0 dist 8.6492 6.30425 4.65127 15.9891 11.2415 9.96399 13.2128 11.816 9.62257 8.33063 numMergedOcc 0
1 mol 60 unq 1 iso 0 dist 8.6492 6.30425 4.65127 12.9682 5.94827 7.55695 13.2128 11.816 9.62257 8.7531 numMergedOcc 0
2 mol 60 unq 2 iso 0 dist 8.6492 6.30425 4.65127 12.2083 5.32257 8.82176 13.67 12.1928 13.0114 8.90863 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 5.20528 11.5334 8.70863 13.2455 11.165 8.00777 13.0232 12.0078 5.08358 7.95579 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 5.20528 11.5334 8.70863 9.9795 9.29301 7.1589 9.53239 9.82915 6.37974 7.97049 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 5.20528 11.5334 8.70863 9.9795 9.29301 7.1589 13.0232 12.0078 5.08358 6.19965 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.21813 10.7165 8.43352 9.32725 7.06961 7.26086 5.90686 6.7117 7.32662 5.08437 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.21813 10.7165 8.43352 9.32725 7.06961 7.26086 11.2946 9.42961 13.4985 6.48948 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.21813 10.7165 8.43352 9.32725 7.06961 7.26086 9.41666 4.47349 6.934 6.10456 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 7.89276 8.40294 8.43352 10.6719 7.06961 7.26086 12.4645 6.7117 7.32662 5.08437 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 7.89276 8.40294 8.43352 10.6719 7.06961 7.26086 14.0785 9.42961 13.4985 6.48948 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 7.89276 8.40294 8.43352 10.6719 7.06961 7.26086 4.89219 4.47349 6.934 6.10456 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.86487 13.2927 9.77017 12.6327 5.39346 8.729 6.84034 10.1861 11.0629 9.60462 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 9.86487 13.2927 9.77017 12.6327 5.39346 8.729 11.8668 10.15 5.48848 7.45389 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 7.85849 17.112 9.30061 10.9216 4.57832 8.20836 10.879 6.23142 9.4027 8.94367 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 7.85849 17.112 9.30061 10.9216 4.57832 8.20836 16.7911 9.94764 5.12325 9.86662 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 6.08299 9.75179 9.30061 9.79337 4.57832 8.20836 7.07625 6.23142 9.4027 8.94367 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 6.08299 9.75179 9.30061 9.79337 4.57832 8.20836 10.4858 9.94764 5.12325 9.86662 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 5.42285 7.66951 7.46845 9.55307 5.81563 5.38091 16.4845 13.0658 10.7023 8.34702 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 5.42285 7.66951 7.46845 9.55307 5.81563 5.38091 13.3708 11.5017 9.00862 9.06726 numMergedOcc 0
20 mol 156 unq 2 iso 0 dist 5.42285 7.66951 7.46845 9.55307 5.81563 5.38091 13.7736 10.0063 11.1271 8.33171 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.41708 8.7763 7.46987 15.049 11.6919 8.64409 14.613 16.2017 9.97575 9.09754 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 6.67938 8.9748 5.91727 11.0143 5.86489 6.85441 15.6743 11.5776 8.17229 7.10633 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 6.67938 8.9748 5.91727 11.0143 5.86489 6.85441 5.96888 7.32294 5.74707 8.51516 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 9.45021 15.5048 7.95359 15.3272 6.67321 5.87815 19.4603 13.0798 10.6244 7.55216 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 6.74022 12.9095 8.2997 9.13226 5.29529 9.56685 10.7073 8.52587 5.90436 7.56915 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 6.74022 12.9095 8.2997 9.13226 5.29529 9.56685 11.3302 11.6126 12.106 8.49997 numMergedOcc 0
