0 mol 26 unq 0 iso 0 dist 9.34599 7.54282 5.29055 15.2626 9.53735 9.71123 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 7.24775 9.21811 13.4461 11.3613 5.80623 13.7632 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.14607 4.88863 3.85627 8.27485 7.38868 8.2282 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 7.38868 8.2282 3.85627 8.27485 8.14607 4.88863 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 5.98187 8.36221 7.17096 3.65652 7.42186 8.6441 numMergedOcc 0
5 mol 123 unq 1 iso 0 dist 5.98187 8.36221 7.17096 6.84294 9.47346 6.70684 numMergedOcc 0
6 mol 123 unq 2 iso 0 dist 7.42186 8.6441 7.17096 3.65652 5.98187 8.36221 numMergedOcc 0
7 mol 123 unq 3 iso 0 dist 7.42186 8.6441 7.17096 8.81087 9.47346 6.70684 numMergedOcc 0
8 mol 123 unq 4 iso 0 dist 9.47346 6.70684 7.17096 6.84294 5.98187 8.36221 numMergedOcc 0
9 mol 123 unq 5 iso 0 dist 9.47346 6.70684 7.17096 8.81087 7.42186 8.6441 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 9.13301 8.89976 5.88667 5.88837 7.55095 9.18988 numMergedOcc 0
11 mol 124 unq 1 iso 0 dist 7.55095 9.18988 5.88667 5.88837 9.13301 8.89976 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 9.45931 7.20083 11.0215 15.437 6.49728 17.3803 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 9.58371 6.22696 8.68377 7.26245 7.13199 10.0302 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 5.92785 8.32647 7.81466 6.72547 5.11863 10.5972 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 5.21339 8.58805 6.98225 8.14731 6.34867 10.541 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 8.07237 8.9694 3.91276 6.40387 9.84034 12.5129 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 8.07237 8.9694 3.91276 14.8373 8.95218 8.02723 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 8.95218 8.02723 3.91276 15.9216 9.84034 12.5129 numMergedOcc 0
19 mol 214 unq 3 iso 0 dist 8.95218 8.02723 3.91276 14.8373 8.07237 8.9694 numMergedOcc 0
