0 mol 100 unq 0 iso 0 dist 5.09688 8.20567 8.92577 12.2879 7.47343 12.0555 13.6601 8.8807 15.3021 6.65086 numMergedOcc 0
1 mol 100 unq 1 iso 0 dist 5.09688 8.20567 8.92577 12.2879 7.47343 12.0555 17.6466 12.6515 18.6091 6.56369 numMergedOcc 0
2 mol 100 unq 2 iso 0 dist 5.09688 8.20567 8.92577 12.2879 7.47343 12.0555 18.8484 13.887 19.8697 9.30209 numMergedOcc 0
3 mol 100 unq 3 iso 0 dist 5.09688 5.65432 9.56324 12.2879 7.47343 16.8752 13.6601 8.8807 17.1897 6.65086 numMergedOcc 0
4 mol 100 unq 4 iso 0 dist 5.09688 5.65432 9.56324 12.2879 7.47343 16.8752 17.6466 12.6515 21.2171 6.56369 numMergedOcc 0
5 mol 100 unq 5 iso 0 dist 5.09688 5.65432 9.56324 12.2879 7.47343 16.8752 18.8484 13.887 22.2677 9.30209 numMergedOcc 0
6 mol 100 unq 6 iso 0 dist 9.26343 10.4985 8.92577 16.4386 7.47343 12.0555 16.1978 8.8807 15.3021 6.65086 numMergedOcc 0
7 mol 100 unq 7 iso 0 dist 9.26343 10.4985 8.92577 16.4386 7.47343 12.0555 21.6939 12.6515 18.6091 6.56369 numMergedOcc 0
8 mol 100 unq 8 iso 0 dist 9.26343 10.4985 8.92577 16.4386 7.47343 12.0555 21.5791 13.887 19.8697 9.30209 numMergedOcc 0
9 mol 100 unq 9 iso 0 dist 9.26343 6.03516 9.56324 16.4386 7.47343 16.8752 16.1978 8.8807 17.1897 6.65086 numMergedOcc 0
10 mol 100 unq 10 iso 0 dist 9.26343 6.03516 9.56324 16.4386 7.47343 16.8752 21.6939 12.6515 21.2171 6.56369 numMergedOcc 0
11 mol 100 unq 11 iso 0 dist 9.26343 6.03516 9.56324 16.4386 7.47343 16.8752 21.5791 13.887 22.2677 9.30209 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 9.41387 5.53825 7.0318 9.3855 7.90328 5.21051 13.8525 7.22206 11.0698 7.83136 numMergedOcc 0
13 mol 117 unq 1 iso 0 dist 9.41387 5.53825 7.0318 9.3855 7.90328 5.21051 15.4634 9.3584 10.5123 7.0603 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 6.38977 5.7687 9.33945 6.82985 8.40312 12.3624 9.69757 5.55373 14.2573 7.12972 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 6.38977 5.7687 9.33945 6.82985 8.40312 12.3624 12.5659 10.7062 17.4482 6.85062 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 6.99089 9.32667 5.57904 10.1742 6.54501 7.41837 9.54911 5.79898 11.3191 9.89303 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 6.99089 9.32667 5.57904 12.6542 6.49416 6.50005 15.1189 8.80819 12.3933 8.94367 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 6.99089 9.32667 5.57904 12.6542 6.49416 6.50005 11.6481 5.00817 7.27598 6.37586 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 7.80643 11.1371 9.19499 6.52984 7.44554 5.66289 12.2418 5.56175 7.11647 8.94056 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 7.80643 11.1371 9.19499 6.52984 7.44554 5.66289 10.8849 8.38403 13.581 9.83699 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.03567 3.88154 5.16813 12.2966 8.87694 11.0854 16.5692 9.50685 14.4578 9.09754 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 6.18486 7.61598 7.71761 6.78651 7.55216 5.841 9.93154 9.51866 14.1483 9.34734 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 6.18486 7.61598 7.71761 6.78651 7.55216 5.841 10.7118 12.4689 12.9898 7.22101 numMergedOcc 0
24 mol 227 unq 2 iso 0 dist 6.18486 7.61598 7.71761 6.78651 7.55216 5.841 13.6059 12.9332 14.1659 8.65997 numMergedOcc 0
25 mol 227 unq 3 iso 0 dist 6.18486 7.61598 7.71761 6.78651 7.55216 5.841 9.18218 4.48529 9.8971 7.56888 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 7.7309 7.13444 9.05762 9.29412 6.05727 5.79827 10.6622 5.51688 9.95681 8.02547 numMergedOcc 0
27 mol 261 unq 1 iso 0 dist 7.7309 7.13444 9.05762 9.29412 6.05727 5.79827 7.26647 4.63549 10.8774 8.43057 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 7.66615 13.1178 7.31993 10.3544 8.46116 10.4451 7.22438 5.40809 12.3168 8.33638 numMergedOcc 0
29 mol 276 unq 0 iso 0 dist 7.11272 8.07628 8.79189 5.75852 6.87396 6.33662 12.2355 6.88557 13.9936 9.8993 numMergedOcc 0
