0 mol 58 unq 0 iso 0 dist 7.15486 9.42188 8.2405 4.98107 9.4099 13.6018 8.52969 10.6169 9.11373 9.55426 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.52969 9.42188 9.11373 4.98107 9.55426 13.6018 7.15486 10.6169 8.2405 9.4099 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.22406 8.57012 13.3881 5.41023 9.64443 8.91313 13.6801 13.1316 17.5889 9.33898 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 8.22406 9.75945 5.90097 5.41023 9.64443 8.16392 13.6801 13.1316 10.8304 9.33898 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 12.2879 7.47343 16.5404 13.6601 8.8807 14.3758 6.65086 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 5.09688 8.22984 9.75737 12.2879 7.47343 16.5404 17.6466 12.6515 20.0968 6.56369 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 5.09688 8.22984 9.75737 12.2879 7.47343 16.5404 18.8484 13.887 19.3554 9.30209 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 9.26343 6.6157 9.75737 16.4386 7.47343 16.5404 16.1978 8.8807 14.3758 6.65086 numMergedOcc 0
8 mol 100 unq 4 iso 0 dist 9.26343 6.6157 9.75737 16.4386 7.47343 16.5404 21.6939 12.6515 20.0968 6.56369 numMergedOcc 0
9 mol 100 unq 5 iso 0 dist 9.26343 6.6157 9.75737 16.4386 7.47343 16.5404 21.5791 13.887 19.3554 9.30209 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.38977 8.74658 7.7567 6.82985 8.40312 9.90168 9.69757 5.55373 8.23791 7.12972 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 6.38977 8.74658 7.7567 6.82985 8.40312 9.90168 12.5659 10.7062 13.7237 6.85062 numMergedOcc 0
12 mol 131 unq 2 iso 0 dist 9.69757 8.74658 8.23791 6.82985 7.12972 9.90168 6.38977 5.55373 7.7567 8.40312 numMergedOcc 0
13 mol 131 unq 3 iso 0 dist 9.69757 8.74658 8.23791 6.82985 7.12972 9.90168 12.5659 6.63273 13.7237 6.85062 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 8.76337 7.63312 11.9764 14.2075 8.85576 14.4964 7.81386 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.25528 5.6688 5.6044 18.2027 9.1374 14.2254 20.7774 13.2049 18.696 8.03334 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.25528 5.6688 5.6044 11.4901 5.98885 9.72611 11.3822 10.1912 12.9468 9.09537 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.03567 9.01369 5.4141 12.2966 8.87694 14.0016 16.5692 9.50685 13.8496 9.09754 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.93154 5.87056 6.00424 6.78651 9.34734 7.43071 10.7118 6.99063 6.35849 7.22101 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 9.93154 5.87056 6.00424 6.78651 9.34734 7.43071 13.6059 7.60506 10.204 8.65997 numMergedOcc 0
20 mol 227 unq 2 iso 0 dist 9.93154 5.87056 6.00424 6.78651 9.34734 7.43071 9.18218 7.43198 9.76735 7.56888 numMergedOcc 0
21 mol 227 unq 3 iso 0 dist 9.93154 5.87056 6.00424 6.78651 9.34734 7.43071 6.18486 9.51866 9.32448 7.55216 numMergedOcc 0
22 mol 227 unq 4 iso 0 dist 9.93154 9.84311 10.7656 6.78651 9.34734 5.41321 10.7118 6.99063 10.9607 7.22101 numMergedOcc 0
23 mol 227 unq 5 iso 0 dist 9.93154 9.84311 10.7656 6.78651 9.34734 5.41321 13.6059 7.60506 9.72615 8.65997 numMergedOcc 0
24 mol 227 unq 6 iso 0 dist 9.93154 9.84311 10.7656 6.78651 9.34734 5.41321 9.18218 7.43198 5.10635 7.56888 numMergedOcc 0
25 mol 227 unq 7 iso 0 dist 9.93154 9.84311 10.7656 6.78651 9.34734 5.41321 6.18486 9.51866 6.48027 7.55216 numMergedOcc 0
26 mol 227 unq 8 iso 0 dist 9.93154 8.85568 10.3825 6.78651 9.34734 13.0798 10.7118 6.99063 15.6713 7.22101 numMergedOcc 0
27 mol 227 unq 9 iso 0 dist 9.93154 8.85568 10.3825 6.78651 9.34734 13.0798 13.6059 7.60506 16.6985 8.65997 numMergedOcc 0
28 mol 227 unq 10 iso 0 dist 9.93154 8.85568 10.3825 6.78651 9.34734 13.0798 9.18218 7.43198 8.86483 7.56888 numMergedOcc 0
29 mol 227 unq 11 iso 0 dist 9.93154 8.85568 10.3825 6.78651 9.34734 13.0798 6.18486 9.51866 6.67321 7.55216 numMergedOcc 0
30 mol 227 unq 12 iso 0 dist 9.18218 5.87056 9.76735 6.78651 7.56888 7.43071 9.93154 7.43198 6.00424 9.34734 numMergedOcc 0
31 mol 227 unq 13 iso 0 dist 9.18218 5.87056 9.76735 6.78651 7.56888 7.43071 10.7118 10.8658 6.35849 7.22101 numMergedOcc 0
32 mol 227 unq 14 iso 0 dist 9.18218 5.87056 9.76735 6.78651 7.56888 7.43071 13.6059 9.70012 10.204 8.65997 numMergedOcc 0
33 mol 227 unq 15 iso 0 dist 9.18218 5.87056 9.76735 6.78651 7.56888 7.43071 6.18486 4.48529 9.32448 7.55216 numMergedOcc 0
34 mol 227 unq 16 iso 0 dist 9.18218 9.84311 5.10635 6.78651 7.56888 5.41321 9.93154 7.43198 10.7656 9.34734 numMergedOcc 0
35 mol 227 unq 17 iso 0 dist 9.18218 9.84311 5.10635 6.78651 7.56888 5.41321 10.7118 10.8658 10.9607 7.22101 numMergedOcc 0
36 mol 227 unq 18 iso 0 dist 9.18218 9.84311 5.10635 6.78651 7.56888 5.41321 13.6059 9.70012 9.72615 8.65997 numMergedOcc 0
37 mol 227 unq 19 iso 0 dist 9.18218 9.84311 5.10635 6.78651 7.56888 5.41321 6.18486 4.48529 6.48027 7.55216 numMergedOcc 0
38 mol 227 unq 20 iso 0 dist 9.18218 8.85568 8.86483 6.78651 7.56888 13.0798 9.93154 7.43198 10.3825 9.34734 numMergedOcc 0
39 mol 227 unq 21 iso 0 dist 9.18218 8.85568 8.86483 6.78651 7.56888 13.0798 10.7118 10.8658 15.6713 7.22101 numMergedOcc 0
40 mol 227 unq 22 iso 0 dist 9.18218 8.85568 8.86483 6.78651 7.56888 13.0798 13.6059 9.70012 16.6985 8.65997 numMergedOcc 0
41 mol 227 unq 23 iso 0 dist 9.18218 8.85568 8.86483 6.78651 7.56888 13.0798 6.18486 4.48529 6.67321 7.55216 numMergedOcc 0
42 mol 227 unq 24 iso 0 dist 6.18486 5.87056 9.32448 6.78651 7.55216 7.43071 9.93154 9.51866 6.00424 9.34734 numMergedOcc 0
43 mol 227 unq 25 iso 0 dist 6.18486 5.87056 9.32448 6.78651 7.55216 7.43071 10.7118 12.4689 6.35849 7.22101 numMergedOcc 0
44 mol 227 unq 26 iso 0 dist 6.18486 5.87056 9.32448 6.78651 7.55216 7.43071 13.6059 12.9332 10.204 8.65997 numMergedOcc 0
45 mol 227 unq 27 iso 0 dist 6.18486 5.87056 9.32448 6.78651 7.55216 7.43071 9.18218 4.48529 9.76735 7.56888 numMergedOcc 0
46 mol 227 unq 28 iso 0 dist 6.18486 9.84311 6.48027 6.78651 7.55216 5.41321 9.93154 9.51866 10.7656 9.34734 numMergedOcc 0
47 mol 227 unq 29 iso 0 dist 6.18486 9.84311 6.48027 6.78651 7.55216 5.41321 10.7118 12.4689 10.9607 7.22101 numMergedOcc 0
48 mol 227 unq 30 iso 0 dist 6.18486 9.84311 6.48027 6.78651 7.55216 5.41321 13.6059 12.9332 9.72615 8.65997 numMergedOcc 0
49 mol 227 unq 31 iso 0 dist 6.18486 9.84311 6.48027 6.78651 7.55216 5.41321 9.18218 4.48529 5.10635 7.56888 numMergedOcc 0
50 mol 227 unq 32 iso 0 dist 6.18486 8.85568 6.67321 6.78651 7.55216 13.0798 9.93154 9.51866 10.3825 9.34734 numMergedOcc 0
51 mol 227 unq 33 iso 0 dist 6.18486 8.85568 6.67321 6.78651 7.55216 13.0798 10.7118 12.4689 15.6713 7.22101 numMergedOcc 0
52 mol 227 unq 34 iso 0 dist 6.18486 8.85568 6.67321 6.78651 7.55216 13.0798 13.6059 12.9332 16.6985 8.65997 numMergedOcc 0
53 mol 227 unq 35 iso 0 dist 6.18486 8.85568 6.67321 6.78651 7.55216 13.0798 9.18218 4.48529 8.86483 7.56888 numMergedOcc 0
54 mol 261 unq 0 iso 0 dist 7.26647 5.83338 7.86966 9.29412 8.43057 11.0912 10.6622 10.0727 7.85932 8.02547 numMergedOcc 0
55 mol 261 unq 1 iso 0 dist 7.26647 5.83338 7.86966 9.29412 8.43057 11.0912 7.7309 4.63549 6.65675 6.05727 numMergedOcc 0
56 mol 261 unq 2 iso 0 dist 7.7309 5.83338 6.65675 9.29412 6.05727 11.0912 10.6622 5.51688 7.85932 8.02547 numMergedOcc 0
57 mol 261 unq 3 iso 0 dist 7.7309 5.83338 6.65675 9.29412 6.05727 11.0912 7.26647 4.63549 7.86966 8.43057 numMergedOcc 0
58 mol 276 unq 0 iso 0 dist 7.11272 8.74282 6.51623 5.75852 6.87396 11.2569 12.2355 6.88557 13.0472 9.8993 numMergedOcc 0
59 mol 282 unq 0 iso 0 dist 7.70229 5.94224 8.2662 8.93697 8.76532 10.6906 10.9708 10.0156 7.80785 8.04483 numMergedOcc 0
60 mol 282 unq 1 iso 0 dist 7.70229 5.94224 8.2662 8.93697 8.76532 10.6906 7.90792 4.66602 6.6348 6.33524 numMergedOcc 0
61 mol 282 unq 2 iso 0 dist 7.90792 5.94224 6.6348 8.93697 6.33524 10.6906 10.9708 5.39891 7.80785 8.04483 numMergedOcc 0
62 mol 282 unq 3 iso 0 dist 7.90792 5.94224 6.6348 8.93697 6.33524 10.6906 7.70229 4.66602 8.2662 8.76532 numMergedOcc 0
