0 mol 41 unq 0 iso 0 dist 5.31016 5.14132 6.73801 8.45063 12.5752 6.59367 8.0072 4.23447 7.29079 13.7087 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 7.69638 4.07863 9.43355 8.61357 9.98108 8.10708 11.2945 13.144 8.67634 5.39975 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 7.69638 4.07863 9.43355 12.2093 15.504 8.42956 11.2945 13.144 8.67634 5.08334 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 7.69638 4.07863 9.43355 11.3905 15.8562 9.20253 11.2945 13.144 8.67634 5.46757 numMergedOcc 0
4 mol 128 unq 0 iso 0 dist 6.03154 8.80709 6.98158 17.1301 13.0031 9.11128 10.7203 5.91388 6.47811 10.0983 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 6.42904 5.80615 6.51868 11.818 10.745 6.61636 13.5061 10.0161 9.10003 4.97581 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 7.31633 6.2062 7.34698 8.61448 11.3682 6.61636 11.9149 11.7838 9.10003 4.97581 numMergedOcc 0
7 mol 157 unq 0 iso 0 dist 9.30128 9.06676 6.455 12.4793 6.39342 5.87379 11.5255 3.89036 6.4431 7.50283 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 9.14629 4.0737 7.80054 13.1481 7.33075 9.72291 11.1687 5.43662 9.1326 8.23378 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 9.14629 4.0737 7.80054 13.1481 7.33075 9.72291 6.48993 5.95858 7.30954 12.2546 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 9.38737 10.5012 8.41245 6.7407 4.67407 7.33162 18.8624 16.0084 8.62366 15.3642 numMergedOcc 0
11 mol 173 unq 1 iso 0 dist 9.38737 10.5012 8.41245 6.7407 4.67407 7.33162 19.6349 13.8465 9.44973 14.6996 numMergedOcc 0
12 mol 173 unq 2 iso 0 dist 9.38737 10.5012 8.41245 6.7407 4.67407 7.33162 15.4922 11.2063 6.52508 10.1636 numMergedOcc 0
13 mol 173 unq 3 iso 0 dist 9.51638 12.905 6.64779 13.1499 6.34062 7.33162 13.9492 11.3761 8.62366 15.3642 numMergedOcc 0
14 mol 173 unq 4 iso 0 dist 9.51638 12.905 6.64779 13.1499 6.34062 7.33162 15.3514 9.90783 9.44973 14.6996 numMergedOcc 0
15 mol 173 unq 5 iso 0 dist 9.51638 12.905 6.64779 13.1499 6.34062 7.33162 9.26656 4.60149 6.52508 10.1636 numMergedOcc 0
16 mol 273 unq 0 iso 0 dist 9.78826 13.7838 8.85779 6.73794 4.30863 7.96519 11.7289 10.5462 9.35749 9.73521 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.76945 4.26276 5.59555 6.90956 8.32567 8.40198 10.251 5.97664 8.59762 13.2367 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 7.76945 4.26276 5.59555 11.4889 7.04567 9.11967 10.251 5.97664 8.59762 12.7902 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.76945 4.26276 5.59555 6.90956 8.32567 8.40198 10.251 5.97664 8.59762 13.2367 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 7.76945 4.26276 5.59555 11.4889 7.04567 9.11967 10.251 5.97664 8.59762 12.7902 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.76945 4.26276 5.59555 6.90956 8.32567 8.40198 10.251 5.97664 8.59762 13.2367 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 7.76945 4.26276 5.59555 11.4889 7.04567 9.11967 10.251 5.97664 8.59762 12.7902 numMergedOcc 0
