0 mol 10 unq 0 iso 0 dist 5.8369 8.34698 8.06428 4.71606 9.17574 8.15866 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 8.06428 8.34698 5.8369 8.15866 9.17574 4.71606 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 5.8369 8.34698 8.06428 8.74239 8.79953 6.35199 numMergedOcc 0
3 mol 10 unq 1 iso 1 dist 8.06428 8.34698 5.8369 6.35199 8.79953 8.74239 numMergedOcc 0
4 mol 17 unq 0 iso 0 dist 6.64199 11.1609 8.90155 13.5569 8.26398 13.9821 numMergedOcc 0
5 mol 17 unq 0 iso 1 dist 8.90155 11.1609 6.64199 13.9821 8.26398 13.5569 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 9.28621 12.5255 8.94643 11.6018 5.19518 7.07919 numMergedOcc 0
7 mol 28 unq 0 iso 1 dist 8.94643 12.5255 9.28621 7.07919 5.19518 11.6018 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 9.28621 9.40652 8.36195 11.6018 5.19518 12.4701 numMergedOcc 0
9 mol 28 unq 1 iso 1 dist 8.36195 9.40652 9.28621 12.4701 5.19518 11.6018 numMergedOcc 0
10 mol 28 unq 1 iso 0 dist 8.94643 11.2009 8.36195 7.07919 5.19518 12.4701 numMergedOcc 0
11 mol 28 unq 1 iso 1 dist 8.36195 11.2009 8.94643 12.4701 5.19518 7.07919 numMergedOcc 0
12 mol 28 unq 2 iso 0 dist 8.09862 16.4082 8.97167 10.2252 8.69709 11.6344 numMergedOcc 0
13 mol 28 unq 2 iso 1 dist 8.97167 16.4082 8.09862 11.6344 8.69709 10.2252 numMergedOcc 0
14 mol 30 unq 0 iso 0 dist 6.93011 9.60272 9.71995 4.03124 7.48723 12.047 numMergedOcc 0
15 mol 30 unq 0 iso 1 dist 9.71995 9.60272 6.93011 12.047 7.48723 4.03124 numMergedOcc 0
16 mol 48 unq 0 iso 0 dist 9.55284 5.13868 7.36877 12.3426 5.7836 11.2238 numMergedOcc 0
17 mol 48 unq 0 iso 1 dist 7.36877 5.13868 9.55284 11.2238 5.7836 12.3426 numMergedOcc 0
18 mol 48 unq 1 iso 0 dist 6.85843 5.56042 7.94814 8.31475 8.74151 12.4972 numMergedOcc 0
19 mol 48 unq 1 iso 1 dist 7.94814 5.56042 6.85843 12.4972 8.74151 8.31475 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 8.67342 9.06957 5.73739 16.5181 9.13593 11.9312 numMergedOcc 0
21 mol 85 unq 0 iso 1 dist 5.73739 9.06957 8.67342 11.9312 9.13593 16.5181 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 8.60062 9.06957 5.16225 16.5181 8.25144 11.9312 numMergedOcc 0
23 mol 85 unq 1 iso 1 dist 5.16225 9.06957 8.60062 11.9312 8.25144 16.5181 numMergedOcc 0
24 mol 101 unq 0 iso 0 dist 7.33426 10.7319 8.17175 4.93063 9.44645 14.9783 numMergedOcc 0
25 mol 101 unq 0 iso 1 dist 8.17175 10.7319 7.33426 14.9783 9.44645 4.93063 numMergedOcc 0
26 mol 103 unq 0 iso 0 dist 9.0807 14.4929 9.70231 8.49357 5.51053 6.06934 numMergedOcc 0
27 mol 103 unq 0 iso 1 dist 9.70231 14.4929 9.0807 6.06934 5.51053 8.49357 numMergedOcc 0
28 mol 135 unq 0 iso 0 dist 8.18584 6.457 9.85803 9.25955 7.02963 12.4693 numMergedOcc 0
29 mol 135 unq 0 iso 1 dist 9.85803 6.457 8.18584 12.4693 7.02963 9.25955 numMergedOcc 0
30 mol 182 unq 0 iso 0 dist 8.7486 5.59235 9.06707 8.99704 9.98182 4.49268 numMergedOcc 0
31 mol 182 unq 0 iso 1 dist 9.06707 5.59235 8.7486 4.49268 9.98182 8.99704 numMergedOcc 0
32 mol 230 unq 0 iso 0 dist 7.51295 9.462 9.73038 4.32112 8.91416 12.2677 numMergedOcc 0
33 mol 230 unq 0 iso 1 dist 9.73038 9.462 7.51295 12.2677 8.91416 4.32112 numMergedOcc 0
34 mol 281 unq 0 iso 0 dist 9.39268 15.6382 9.06888 13.4239 6.18742 13.4274 numMergedOcc 0
35 mol 281 unq 0 iso 1 dist 9.06888 15.6382 9.39268 13.4274 6.18742 13.4239 numMergedOcc 0
