0 mol 2 unq 0 iso 0 dist 8.66033 12.7276 6.3286 9.54857 9.57674 8.16405 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.54324 6.45938 6.3286 6.97183 9.57674 8.16405 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 4.52881 8.23748 8.96839 9.5746 7.42925 5.50617 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 6.21251 7.68784 7.40801 7.7133 9.50228 9.87097 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 5.37527 5.49954 8.49775 6.64741 9.67681 10.2017 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.07051 11.1671 6.03038 5.22561 9.95103 13.2428 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 8.07051 4.37197 9.21675 5.22561 9.95103 4.50298 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 8.42082 9.46631 5.69707 6.35087 7.32163 6.09907 numMergedOcc 0
8 mol 150 unq 0 iso 0 dist 8.47493 9.47461 5.62239 6.38252 7.42372 5.96176 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 5.16184 7.7168 9.72584 7.00671 9.68323 9.10278 numMergedOcc 0
10 mol 182 unq 1 iso 0 dist 8.54162 10.8463 9.72584 9.23913 9.68323 9.10278 numMergedOcc 0
11 mol 185 unq 0 iso 0 dist 9.94658 9.83707 6.39437 17.4957 8.56136 12.9861 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 9.10711 8.5826 9.83104 5.86273 9.28818 4.04737 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.94211 8.5826 7.33624 7.13021 7.32556 5.45998 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 8.94211 8.5826 7.33624 6.06387 9.28689 9.52279 numMergedOcc 0
15 mol 205 unq 3 iso 0 dist 8.94211 8.5826 7.33624 5.86273 9.1654 4.04737 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 8.87835 16.8336 8.78286 12.8447 8.87054 8.06815 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 9.54076 9.27683 8.78286 5.21133 8.87054 8.06815 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 4.58449 4.87397 8.81279 12.5597 9.05637 17.2783 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 9.09556 12.6189 5.8374 9.59458 7.49913 9.1668 numMergedOcc 0
