0 mol 58 unq 0 iso 0 dist 7.15486 7.04193 7.5247 4.98107 9.4099 11.9025 8.52969 10.6169 11.6716 9.55426 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.52969 7.04193 11.6716 4.98107 9.55426 11.9025 7.15486 10.6169 7.5247 9.4099 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.97292 6.85083 9.49235 14.1347 7.71095 13.9238 20.4157 12.5396 17.6363 8.84665 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 8.97292 6.85083 9.49235 14.1347 7.71095 13.9238 17.0558 8.19458 15.6032 8.25513 numMergedOcc 0
4 mol 59 unq 2 iso 0 dist 6.85083 8.97292 9.49235 7.35881 7.17396 14.2252 12.4944 6.05545 14.6495 9.21998 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 16.4386 7.47343 19.3587 16.1978 8.8807 15.443 6.65086 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 16.4386 7.47343 19.3587 21.6939 12.6515 22.7436 6.56369 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 9.26343 9.91446 13.8729 16.4386 7.47343 19.3587 21.5791 13.887 19.9926 9.30209 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.38977 9.64856 7.50824 6.82985 8.40312 13.724 9.69757 5.55373 11.0599 7.12972 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 6.38977 9.64856 7.50824 6.82985 8.40312 13.724 12.5659 10.7062 17.2608 6.85062 numMergedOcc 0
10 mol 131 unq 2 iso 0 dist 6.38977 9.69757 5.55373 6.82985 8.40312 7.12972 12.5659 10.7062 6.63273 6.85062 numMergedOcc 0
11 mol 131 unq 3 iso 0 dist 9.69757 9.64856 11.0599 6.82985 7.12972 13.724 6.38977 5.55373 7.50824 8.40312 numMergedOcc 0
12 mol 131 unq 4 iso 0 dist 9.69757 9.64856 11.0599 6.82985 7.12972 13.724 12.5659 6.63273 17.2608 6.85062 numMergedOcc 0
13 mol 131 unq 5 iso 0 dist 9.69757 6.38977 5.55373 6.82985 7.12972 8.40312 12.5659 6.63273 10.7062 6.85062 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 7.80643 7.39961 5.76755 6.52984 7.44554 10.4649 12.2418 5.56175 11.1775 8.94056 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 7.80643 7.39961 5.76755 6.52984 7.44554 10.4649 10.8849 8.38403 7.60354 9.83699 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 8.50904 7.04318 6.2715 8.09861 9.0018 5.6234 11.9173 8.16421 5.35493 6.57069 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 7.04318 8.50904 6.2715 8.09861 5.6234 9.0018 11.9173 5.35493 8.16421 6.57069 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 8.76337 7.63312 16.9324 14.2075 8.85576 19.8165 7.81386 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.25528 6.96824 11.9017 18.2027 9.1374 20.225 20.7774 13.2049 24.927 8.03334 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 11.4901 5.98885 15.333 11.3822 10.1912 17.8118 9.09537 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.93637 7.96424 13.4403 14.8074 9.23153 14.106 15.9523 10.5449 16.3772 8.24498 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 8.93637 5.40366 6.55533 14.8074 9.23153 9.55941 15.9523 10.5449 11.7949 8.24498 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.93154 9.18218 7.43198 6.78651 9.34734 7.56888 10.7118 6.99063 10.8658 7.22101 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 9.93154 9.18218 7.43198 6.78651 9.34734 7.56888 13.6059 7.60506 9.70012 8.65997 numMergedOcc 0
25 mol 227 unq 2 iso 0 dist 9.93154 9.18218 7.43198 6.78651 9.34734 7.56888 6.18486 9.51866 4.48529 7.55216 numMergedOcc 0
26 mol 227 unq 3 iso 0 dist 9.93154 6.18486 9.51866 6.78651 9.34734 7.55216 10.7118 6.99063 12.4689 7.22101 numMergedOcc 0
27 mol 227 unq 4 iso 0 dist 9.93154 6.18486 9.51866 6.78651 9.34734 7.55216 13.6059 7.60506 12.9332 8.65997 numMergedOcc 0
28 mol 227 unq 5 iso 0 dist 9.93154 6.18486 9.51866 6.78651 9.34734 7.55216 9.18218 7.43198 4.48529 7.56888 numMergedOcc 0
29 mol 227 unq 6 iso 0 dist 9.18218 9.93154 7.43198 6.78651 7.56888 9.34734 10.7118 10.8658 6.99063 7.22101 numMergedOcc 0
30 mol 227 unq 7 iso 0 dist 9.18218 9.93154 7.43198 6.78651 7.56888 9.34734 13.6059 9.70012 7.60506 8.65997 numMergedOcc 0
31 mol 227 unq 8 iso 0 dist 9.18218 9.93154 7.43198 6.78651 7.56888 9.34734 6.18486 4.48529 9.51866 7.55216 numMergedOcc 0
32 mol 227 unq 9 iso 0 dist 9.18218 6.18486 4.48529 6.78651 7.56888 7.55216 9.93154 7.43198 9.51866 9.34734 numMergedOcc 0
33 mol 227 unq 10 iso 0 dist 9.18218 6.18486 4.48529 6.78651 7.56888 7.55216 10.7118 10.8658 12.4689 7.22101 numMergedOcc 0
34 mol 227 unq 11 iso 0 dist 9.18218 6.18486 4.48529 6.78651 7.56888 7.55216 13.6059 9.70012 12.9332 8.65997 numMergedOcc 0
35 mol 227 unq 12 iso 0 dist 6.18486 9.93154 9.51866 6.78651 7.55216 9.34734 10.7118 12.4689 6.99063 7.22101 numMergedOcc 0
36 mol 227 unq 13 iso 0 dist 6.18486 9.93154 9.51866 6.78651 7.55216 9.34734 13.6059 12.9332 7.60506 8.65997 numMergedOcc 0
37 mol 227 unq 14 iso 0 dist 6.18486 9.93154 9.51866 6.78651 7.55216 9.34734 9.18218 4.48529 7.43198 7.56888 numMergedOcc 0
38 mol 227 unq 15 iso 0 dist 6.18486 9.18218 4.48529 6.78651 7.55216 7.56888 9.93154 9.51866 7.43198 9.34734 numMergedOcc 0
39 mol 227 unq 16 iso 0 dist 6.18486 9.18218 4.48529 6.78651 7.55216 7.56888 10.7118 12.4689 10.8658 7.22101 numMergedOcc 0
40 mol 227 unq 17 iso 0 dist 6.18486 9.18218 4.48529 6.78651 7.55216 7.56888 13.6059 12.9332 9.70012 8.65997 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 6.49599 9.34738 4.86771 14.1932 8.13497 9.95973 16.2468 10.582 10.4756 8.53687 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 6.49599 9.34738 4.86771 13.8605 7.88519 7.84554 9.47382 6.96053 7.64658 7.46176 numMergedOcc 0
43 mol 259 unq 2 iso 0 dist 6.49599 9.34738 4.86771 13.8605 7.88519 7.84554 14.8529 10.4881 5.87173 9.18903 numMergedOcc 0
44 mol 259 unq 3 iso 0 dist 6.49599 9.47382 6.96053 14.1932 8.13497 10.3935 16.2468 10.582 15.7715 8.53687 numMergedOcc 0
45 mol 259 unq 4 iso 0 dist 6.49599 9.47382 6.96053 13.8605 7.88519 7.46176 9.34738 4.86771 7.64658 7.84554 numMergedOcc 0
46 mol 259 unq 5 iso 0 dist 6.49599 9.47382 6.96053 13.8605 7.88519 7.46176 14.8529 10.4881 10.5239 9.18903 numMergedOcc 0
47 mol 259 unq 6 iso 0 dist 9.34738 6.49599 4.86771 13.8605 7.84554 7.88519 9.47382 7.64658 6.96053 7.46176 numMergedOcc 0
48 mol 259 unq 7 iso 0 dist 9.34738 6.49599 4.86771 13.8605 7.84554 7.88519 14.8529 5.87173 10.4881 9.18903 numMergedOcc 0
49 mol 259 unq 8 iso 0 dist 9.34738 9.47382 7.64658 13.8605 7.84554 7.46176 6.49599 4.86771 6.96053 7.88519 numMergedOcc 0
50 mol 259 unq 9 iso 0 dist 9.34738 9.47382 7.64658 13.8605 7.84554 7.46176 14.8529 5.87173 10.5239 9.18903 numMergedOcc 0
51 mol 259 unq 10 iso 0 dist 9.47382 6.49599 6.96053 13.8605 7.46176 7.88519 9.34738 7.64658 4.86771 7.84554 numMergedOcc 0
52 mol 259 unq 11 iso 0 dist 9.47382 6.49599 6.96053 13.8605 7.46176 7.88519 14.8529 10.5239 10.4881 9.18903 numMergedOcc 0
53 mol 259 unq 12 iso 0 dist 9.47382 9.34738 7.64658 13.8605 7.46176 7.84554 6.49599 6.96053 4.86771 7.88519 numMergedOcc 0
54 mol 259 unq 13 iso 0 dist 9.47382 9.34738 7.64658 13.8605 7.46176 7.84554 14.8529 10.5239 5.87173 9.18903 numMergedOcc 0
55 mol 261 unq 0 iso 0 dist 7.26647 7.7309 4.63549 9.29412 8.43057 6.05727 10.6622 10.0727 5.51688 8.02547 numMergedOcc 0
56 mol 261 unq 1 iso 0 dist 7.7309 7.26647 4.63549 9.29412 6.05727 8.43057 10.6622 5.51688 10.0727 8.02547 numMergedOcc 0
57 mol 276 unq 0 iso 0 dist 7.11272 6.24808 8.84158 5.75852 6.87396 11.1437 12.2355 6.88557 15.2626 9.8993 numMergedOcc 0
58 mol 282 unq 0 iso 0 dist 7.70229 7.90792 4.66602 8.93697 8.76532 6.33524 10.9708 10.0156 5.39891 8.04483 numMergedOcc 0
59 mol 282 unq 1 iso 0 dist 7.90792 7.70229 4.66602 8.93697 6.33524 8.76532 10.9708 5.39891 10.0156 8.04483 numMergedOcc 0
