0 mol 10 unq 0 iso 0 dist 9.1125 9.03002 6.48748 14.7966 9.03951 15.3703 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 7.44542 7.8865 6.9065 10.9602 8.18296 14.7405 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 7.44542 7.8865 6.9065 10.4006 7.99569 13.8238 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.979 6.36377 5.72175 5.96976 5.36911 6.93532 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 7.10635 5.41493 8.85978 12.0084 9.18836 11.6539 numMergedOcc 0
5 mol 41 unq 1 iso 0 dist 7.10635 5.41493 8.85978 4.08339 6.07294 8.51663 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 9.65672 8.1599 10.894 13.5485 9.79863 16.9406 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 8.34804 9.46247 11 12.2427 9.42982 14.483 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 8.34804 9.46247 11 7.29309 8.17929 15.6568 numMergedOcc 0
9 mol 67 unq 2 iso 0 dist 8.34804 9.46247 11 4.31746 5.63802 11.6703 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.09675 8.67532 6.97502 8.49877 8.3768 12.2095 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.09675 8.67532 6.97502 7.25285 8.13535 9.06229 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.61312 6.58793 3.85308 3.88757 9.04728 7.54568 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 5.74637 7.74197 13.1838 8.09473 7.01545 14.9941 numMergedOcc 0
14 mol 88 unq 1 iso 0 dist 5.74637 7.86537 12.6939 8.09473 7.01545 15.1191 numMergedOcc 0
15 mol 88 unq 2 iso 0 dist 5.74637 6.35462 6.63027 8.09473 7.01545 12.2282 numMergedOcc 0
16 mol 101 unq 0 iso 0 dist 7.22737 5.22543 4.51951 5.08458 7.73086 6.98314 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 6.36357 4.99966 5.54757 11.6508 9.68619 13.7547 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 7.97183 5.96555 4.25942 3.99238 5.63477 6.03688 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 5.6568 6.11137 6.49831 5.99041 8.88405 12.0062 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 5.6568 6.11137 6.49831 5.55311 7.13854 9.89 numMergedOcc 0
21 mol 236 unq 2 iso 0 dist 5.6568 7.89744 6.81625 5.99041 8.88405 12.2375 numMergedOcc 0
22 mol 236 unq 3 iso 0 dist 5.6568 7.89744 6.81625 5.55311 7.13854 7.1686 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 8.96917 9.10633 8.4988 4.85571 9.30143 7.89524 numMergedOcc 0
24 mol 271 unq 0 iso 0 dist 9.80493 9.56149 9.63302 6.15348 5.75889 9.70714 numMergedOcc 0
25 mol 271 unq 1 iso 0 dist 6.75395 9.56149 7.30308 6.15348 7.03848 9.70714 numMergedOcc 0
