0 mol 0 unq 0 iso 0 dist 7.31837 7.65884 8.34244 6.99594 6.0597 6.3267 11.2184 8.73015 8.66548 4.22598 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 5.66743 11.6846 7.60283 11.6186 7.47886 8.11206 16.9354 13.4461 6.78936 10.1896 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 7.42669 8.05284 7.60283 9.19658 7.47886 8.11206 11.0223 13.4461 6.78936 10.1896 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 8.96382 4.7832 5.79343 11.3935 6.76585 8.39249 9.87348 4.08391 5.51885 4.81369 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 6.42904 5.80615 6.51868 10.7899 6.00607 9.94276 13.5061 10.0161 9.10003 7.789 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 6.42904 5.80615 6.51868 11.5344 10.2267 9.05357 13.5061 10.0161 9.10003 6.11311 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 6.42904 5.80615 6.51868 9.98051 5.59913 5.99299 13.5061 10.0161 9.10003 5.74928 numMergedOcc 0
7 mol 133 unq 3 iso 0 dist 7.31633 6.2062 7.34698 15.1748 12.0514 9.94276 11.9149 11.7838 9.10003 7.789 numMergedOcc 0
8 mol 133 unq 4 iso 0 dist 7.31633 6.2062 7.34698 13.8795 14.5639 9.05357 11.9149 11.7838 9.10003 6.11311 numMergedOcc 0
9 mol 133 unq 5 iso 0 dist 7.31633 6.2062 7.34698 8.9344 6.27692 5.99299 11.9149 11.7838 9.10003 5.74928 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 5.49198 5.90631 6.93279 9.2078 12.2578 6.4218 9.13697 6.06606 5.52149 11.3936 numMergedOcc 0
11 mol 157 unq 0 iso 0 dist 9.30128 9.06676 6.455 15.3492 8.17657 7.23499 11.5255 3.89036 6.4431 5.38303 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 9.38737 10.5012 8.41245 15.4477 12.6533 9.79554 18.8624 16.0084 8.62366 12.9142 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 9.38737 10.5012 8.41245 15.4477 12.6533 9.79554 19.6349 13.8465 9.44973 12.5859 numMergedOcc 0
14 mol 173 unq 2 iso 0 dist 9.38737 10.5012 8.41245 15.4477 12.6533 9.79554 15.4922 11.2063 6.52508 14.5434 numMergedOcc 0
15 mol 173 unq 3 iso 0 dist 9.51638 12.905 6.64779 22.5366 15.1434 9.79554 13.9492 11.3761 8.62366 12.9142 numMergedOcc 0
16 mol 173 unq 4 iso 0 dist 9.51638 12.905 6.64779 22.5366 15.1434 9.79554 15.3514 9.90783 9.44973 12.5859 numMergedOcc 0
17 mol 173 unq 5 iso 0 dist 9.51638 12.905 6.64779 22.5366 15.1434 9.79554 9.26656 4.60149 6.52508 14.5434 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 8.55613 10.4928 7.12785 8.53888 4.78857 9.1101 16.957 10.1372 9.33476 10.106 numMergedOcc 0
19 mol 270 unq 0 iso 0 dist 8.55914 6.41275 7.89388 12.9688 6.0625 9.16073 12.1258 4.11153 9.85255 4.69954 numMergedOcc 0
20 mol 270 unq 1 iso 0 dist 8.55914 6.41275 7.89388 8.76013 5.91256 8.39167 12.1258 4.11153 9.85255 9.04454 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.83113 5.95459 9.20749 8.62431 11.0599 8.49866 4.97796 5.39432 6.66172 5.70568 numMergedOcc 0
