0 mol 43 unq 0 iso 0 dist 8.47617 8.99509 5.06502 12.345 8.38387 13.3732 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.47617 5.73331 6.45462 12.345 8.38387 12.9363 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.47617 8.48694 10.5986 12.345 8.38387 14.7161 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 9.58156 6.56664 8.62608 11.1016 8.1599 14.3699 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 7.59416 9.96382 8.62608 7.04908 8.1599 14.3699 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 8.64872 8.96262 9.02771 10.8989 6.95595 14.747 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 7.2461 9.26333 4.86119 7.8832 7.09405 11.8378 numMergedOcc 0
7 mol 110 unq 1 iso 0 dist 8.1306 8.93253 4.56913 6.9318 9.73174 13.0632 numMergedOcc 0
8 mol 110 unq 2 iso 0 dist 8.1306 8.93253 4.56913 4.29339 9.65418 11.6062 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.29975 6.53153 6.69554 7.49664 9.3894 10.2159 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.29975 8.29673 7.6656 7.49664 9.3894 14.8299 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.0847 9.37459 5.42328 11.6766 8.07256 13.1529 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 9.0847 6.00061 6.4896 11.6766 8.07256 12.6103 numMergedOcc 0
13 mol 152 unq 2 iso 0 dist 9.0847 8.33302 10.2431 11.6766 8.07256 14.0637 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.71735 9.04898 6.85436 4.20223 7.80299 10.1863 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 7.23126 4.97115 10.2747 15.4605 8.79558 17.0839 numMergedOcc 0
16 mol 196 unq 1 iso 0 dist 7.23126 9.45804 11.8114 15.4605 8.79558 16.378 numMergedOcc 0
17 mol 196 unq 2 iso 0 dist 7.23126 9.8486 10.1707 15.4605 8.79558 15.5875 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 7.94694 7.51923 5.63422 16.3384 9.36079 14.4684 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 7.94694 7.51923 5.63422 13.2408 7.42904 12.7047 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 8.9413 6.15754 5.88703 16.6823 7.86368 12.3151 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 4.91961 7.14333 10.2693 5.55026 7.86368 11.8838 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.39522 5.99187 14.0328 5.58605 6.24928 11.3074 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 8.39522 9.93378 15.8898 5.58605 6.24928 14.244 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 5.29682 6.20344 4.69778 6.00285 5.90645 9.73107 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 7.83102 8.59825 9.87519 9.76011 7.04833 14.6396 numMergedOcc 0
