0 mol 16 unq 0 iso 0 dist 7.979 5.96976 5.36911 12.1997 6.05535 6.72833 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.979 5.96976 5.36911 6.36377 5.72175 6.93532 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 7.10635 4.08339 6.07294 5.41493 8.85978 8.51663 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.34804 4.31746 5.63802 11.3095 7.63289 9.49144 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.61312 3.88757 9.04728 6.58793 3.85308 7.54568 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 7.61312 3.88757 9.04728 11.7434 9.77828 9.39864 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.53726 11.0631 7.31426 10.9783 5.60777 5.37007 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 5.37819 13.962 8.96747 9.96037 6.09495 8.91313 numMergedOcc 0
8 mol 101 unq 0 iso 0 dist 7.22737 5.08458 7.73086 5.22543 4.51951 6.98314 numMergedOcc 0
9 mol 101 unq 1 iso 0 dist 7.22737 5.08458 7.73086 9.96707 5.82598 7.61685 numMergedOcc 0
10 mol 151 unq 0 iso 0 dist 9.657 11.8762 9.15141 14.0985 9.74883 5.93692 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 6.20851 4.47323 6.4751 9.87873 8.67611 6.64834 numMergedOcc 0
12 mol 171 unq 1 iso 0 dist 6.20851 4.47323 6.4751 10.2921 9.28655 5.93786 numMergedOcc 0
13 mol 171 unq 2 iso 0 dist 6.20851 4.47323 6.4751 11.2403 10.4021 8.24693 numMergedOcc 0
14 mol 171 unq 3 iso 0 dist 6.20851 4.47323 6.4751 9.80706 11.8046 7.36698 numMergedOcc 0
15 mol 171 unq 4 iso 0 dist 6.20851 4.73373 5.75085 10.2921 9.28655 8.1344 numMergedOcc 0
16 mol 171 unq 5 iso 0 dist 6.20851 4.73373 5.75085 11.2403 10.4021 6.71356 numMergedOcc 0
17 mol 174 unq 0 iso 0 dist 4.77805 4.01137 5.07761 12.204 12.6579 9.87122 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 8.94864 5.23385 6.20426 10.1087 9.41911 8.10214 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 4.45738 11.5701 8.82861 13.8331 9.54287 7.32294 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 7.84215 4.8012 5.63477 8.87534 4.25942 6.03688 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 7.97183 3.99238 5.63477 5.96555 4.25942 6.03688 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 5.6568 5.55311 7.13854 7.89744 6.81625 7.1686 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 8.96917 4.85571 9.30143 9.10633 8.4988 7.89524 numMergedOcc 0
24 mol 244 unq 0 iso 0 dist 9.53211 9.01951 9.97458 13.4982 10.5547 5.50492 numMergedOcc 0
25 mol 271 unq 0 iso 0 dist 9.80493 6.15348 5.75889 9.56149 9.63302 9.70714 numMergedOcc 0
26 mol 271 unq 1 iso 0 dist 6.75395 6.15348 7.03848 9.56149 7.30308 9.70714 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.299 6.68035 5.94449 13.7309 7.7504 9.09855 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 8.299 13.5015 7.66302 17.2658 11.8697 7.23721 numMergedOcc 0
