0 mol 58 unq 0 iso 0 dist 7.15486 7.04193 7.5247 9.42188 8.2405 5.6342 6.58144 6.64012 10.3988 13.4665 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.15486 7.04193 7.5247 9.42188 8.2405 5.6342 4.98107 9.4099 11.9025 13.6018 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 7.15486 8.52969 10.6169 9.42188 8.2405 9.11373 6.58144 6.64012 13.4544 13.4665 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 7.15486 8.52969 10.6169 9.42188 8.2405 9.11373 4.98107 9.4099 9.55426 13.6018 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 8.52969 7.04193 11.6716 9.42188 9.11373 5.6342 11.6772 6.81627 17.1486 15.7503 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 8.52969 7.04193 11.6716 9.42188 9.11373 5.6342 9.0406 7.32874 15.108 14.564 numMergedOcc 0
6 mol 58 unq 6 iso 0 dist 8.52969 7.04193 11.6716 9.42188 9.11373 5.6342 4.98107 9.55426 11.9025 13.6018 numMergedOcc 0
7 mol 58 unq 7 iso 0 dist 8.52969 7.15486 10.6169 9.42188 9.11373 8.2405 11.6772 6.81627 15.2973 15.7503 numMergedOcc 0
8 mol 58 unq 8 iso 0 dist 8.52969 7.15486 10.6169 9.42188 9.11373 8.2405 9.0406 7.32874 11.396 14.564 numMergedOcc 0
9 mol 58 unq 9 iso 0 dist 8.52969 7.15486 10.6169 9.42188 9.11373 8.2405 4.98107 9.55426 9.4099 13.6018 numMergedOcc 0
10 mol 66 unq 0 iso 0 dist 7.69019 8.04639 9.61194 5.75397 5.61937 5.99928 5.89221 8.96624 12.4286 10.4691 numMergedOcc 0
11 mol 66 unq 1 iso 0 dist 7.69019 8.04639 9.61194 9.11975 7.22146 4.38694 5.89221 8.96624 12.4286 13.2323 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 6.6157 9.75737 7.16919 13.666 6.45675 18.696 15.8683 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 6.6157 9.75737 7.16919 16.4386 7.47343 19.3587 16.5404 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.26343 9.91446 13.8729 6.6157 9.75737 7.16919 15.5646 8.86688 22.0839 16.3323 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 7.65229 7.63658 10.838 6.73172 5.39346 5.76986 5.43987 9.60462 11.438 10.1861 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 7.65229 7.63658 10.838 6.73172 5.39346 5.76986 9.7695 7.45389 13.9719 10.15 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 6.38977 9.64856 7.50824 8.74658 7.7567 6.26504 6.82985 8.40312 13.724 9.90168 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 6.38977 9.69757 5.55373 8.74658 7.7567 8.23791 6.82985 8.40312 7.12972 9.90168 numMergedOcc 0
19 mol 131 unq 2 iso 0 dist 9.69757 9.64856 11.0599 8.74658 8.23791 6.26504 6.82985 7.12972 13.724 9.90168 numMergedOcc 0
20 mol 131 unq 3 iso 0 dist 9.69757 6.38977 5.55373 8.74658 8.23791 7.7567 6.82985 7.12972 8.40312 9.90168 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 5.6688 6.29863 5.6044 8.76337 7.63312 16.9324 11.9764 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.25528 6.96824 11.9017 5.6688 5.6044 6.29863 18.2027 9.1374 20.225 14.2254 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 5.6688 5.6044 6.29863 11.4901 5.98885 15.333 9.72611 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 9.25528 6.96824 11.9017 5.6688 5.6044 6.29863 11.9545 9.15386 14.4936 10.428 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 6.21588 5.86489 11.2903 14.0488 7.10633 19.1577 11.5776 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 7.92766 6.32652 12.5143 6.21588 5.86489 11.2903 7.58285 8.51516 13.8351 7.32294 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 9.93154 9.18218 7.43198 5.87056 6.00424 9.76735 6.78651 9.34734 7.56888 7.43071 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 9.93154 9.18218 7.43198 9.84311 10.7656 5.10635 6.78651 9.34734 7.56888 5.41321 numMergedOcc 0
29 mol 227 unq 2 iso 0 dist 9.93154 9.18218 7.43198 8.85568 10.3825 8.86483 6.78651 9.34734 7.56888 13.0798 numMergedOcc 0
30 mol 227 unq 3 iso 0 dist 9.93154 6.18486 9.51866 5.87056 6.00424 9.32448 6.78651 9.34734 7.55216 7.43071 numMergedOcc 0
31 mol 227 unq 4 iso 0 dist 9.93154 6.18486 9.51866 9.84311 10.7656 6.48027 6.78651 9.34734 7.55216 5.41321 numMergedOcc 0
32 mol 227 unq 5 iso 0 dist 9.93154 6.18486 9.51866 8.85568 10.3825 6.67321 6.78651 9.34734 7.55216 13.0798 numMergedOcc 0
33 mol 227 unq 6 iso 0 dist 9.18218 9.93154 7.43198 5.87056 9.76735 6.00424 6.78651 7.56888 9.34734 7.43071 numMergedOcc 0
34 mol 227 unq 7 iso 0 dist 9.18218 9.93154 7.43198 9.84311 5.10635 10.7656 6.78651 7.56888 9.34734 5.41321 numMergedOcc 0
35 mol 227 unq 8 iso 0 dist 9.18218 9.93154 7.43198 8.85568 8.86483 10.3825 6.78651 7.56888 9.34734 13.0798 numMergedOcc 0
36 mol 227 unq 9 iso 0 dist 9.18218 6.18486 4.48529 5.87056 9.76735 9.32448 6.78651 7.56888 7.55216 7.43071 numMergedOcc 0
37 mol 227 unq 10 iso 0 dist 9.18218 6.18486 4.48529 9.84311 5.10635 6.48027 6.78651 7.56888 7.55216 5.41321 numMergedOcc 0
38 mol 227 unq 11 iso 0 dist 9.18218 6.18486 4.48529 8.85568 8.86483 6.67321 6.78651 7.56888 7.55216 13.0798 numMergedOcc 0
39 mol 227 unq 12 iso 0 dist 6.18486 9.93154 9.51866 5.87056 9.32448 6.00424 6.78651 7.55216 9.34734 7.43071 numMergedOcc 0
40 mol 227 unq 13 iso 0 dist 6.18486 9.93154 9.51866 9.84311 6.48027 10.7656 6.78651 7.55216 9.34734 5.41321 numMergedOcc 0
41 mol 227 unq 14 iso 0 dist 6.18486 9.93154 9.51866 8.85568 6.67321 10.3825 6.78651 7.55216 9.34734 13.0798 numMergedOcc 0
42 mol 227 unq 15 iso 0 dist 6.18486 9.18218 4.48529 5.87056 9.32448 9.76735 6.78651 7.55216 7.56888 7.43071 numMergedOcc 0
43 mol 227 unq 16 iso 0 dist 6.18486 9.18218 4.48529 9.84311 6.48027 5.10635 6.78651 7.55216 7.56888 5.41321 numMergedOcc 0
44 mol 227 unq 17 iso 0 dist 6.18486 9.18218 4.48529 8.85568 6.67321 8.86483 6.78651 7.55216 7.56888 13.0798 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 7.80166 9.29203 10.0191 8.03226 14.388 10.3871 6.77788 5.72887 13.5431 14.6113 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 7.80166 7.62771 10.1648 8.03226 14.388 6.54814 6.77788 5.72887 12.8711 14.6113 numMergedOcc 0
47 mol 261 unq 0 iso 0 dist 7.26647 7.7309 4.63549 5.83338 7.86966 6.65675 4.95196 7.73141 10.0703 10.3119 numMergedOcc 0
48 mol 261 unq 1 iso 0 dist 7.26647 7.7309 4.63549 5.83338 7.86966 6.65675 9.29412 8.43057 6.05727 11.0912 numMergedOcc 0
49 mol 261 unq 2 iso 0 dist 7.7309 7.26647 4.63549 5.83338 6.65675 7.86966 9.29412 6.05727 8.43057 11.0912 numMergedOcc 0
50 mol 276 unq 0 iso 0 dist 7.11272 6.24808 8.84158 8.74282 6.51623 5.41235 5.75852 6.87396 11.1437 11.2569 numMergedOcc 0
51 mol 282 unq 0 iso 0 dist 7.70229 7.90792 4.66602 5.94224 8.2662 6.6348 8.93697 8.76532 6.33524 10.6906 numMergedOcc 0
52 mol 282 unq 1 iso 0 dist 7.90792 7.70229 4.66602 5.94224 6.6348 8.2662 8.93697 6.33524 8.76532 10.6906 numMergedOcc 0
