0 mol 58 unq 0 iso 0 dist 7.15486 4.98107 9.4099 8.52969 10.6169 9.55426 12.9126 13.7148 10.3782 8.26899 numMergedOcc 0
1 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 13.8525 7.22206 7.83136 6.69306 6.62561 4.91401 7.63616 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 9.69757 5.55373 7.12972 12.4356 12.5969 6.19596 8.6243 numMergedOcc 0
3 mol 131 unq 1 iso 0 dist 6.38977 6.82985 8.40312 12.5659 10.7062 6.85062 12.4356 12.5969 6.19596 6.91348 numMergedOcc 0
4 mol 131 unq 2 iso 0 dist 6.38977 6.82985 8.40312 12.5659 10.7062 6.85062 10.678 13.6559 6.6499 9.51418 numMergedOcc 0
5 mol 131 unq 3 iso 0 dist 9.69757 6.82985 7.12972 12.5659 6.63273 6.85062 12.4356 8.6243 6.19596 6.91348 numMergedOcc 0
6 mol 131 unq 4 iso 0 dist 9.69757 6.82985 7.12972 12.5659 6.63273 6.85062 10.678 12.9472 6.6499 9.51418 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 6.99089 12.6542 6.49416 15.1189 8.80819 8.94367 15.1358 8.6355 5.41704 8.79571 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 11.6481 5.00817 6.37586 15.1358 8.6355 5.41704 5.42582 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 10.8849 8.38403 9.83699 5.58352 9.36805 6.29785 7.55203 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 7.04318 6.2715 5.6234 6.61225 10.689 5.28109 9.0664 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 8.50904 10.1323 7.652 7.04318 6.2715 9.92231 6.61225 10.689 7.14477 9.0664 numMergedOcc 0
12 mol 175 unq 2 iso 0 dist 7.04318 8.09861 5.6234 8.50904 6.2715 9.0018 14.6248 12.816 11.0415 9.31887 numMergedOcc 0
13 mol 175 unq 3 iso 0 dist 7.04318 10.1323 9.92231 8.50904 6.2715 7.652 14.6248 12.816 5.0384 9.31887 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 13.5702 13.2049 9.1374 9.35108 12.1309 6.25083 6.94688 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 6.07676 6.05039 8.03334 13.5702 13.2049 9.1374 10.5565 12.2058 4.77278 6.71012 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 6.96824 8.76337 7.63312 14.2075 8.85576 7.81386 14.4108 10.1232 6.7991 4.93785 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 10.7118 6.99063 7.22101 13.1968 12.4085 6.43754 8.17891 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 9.93154 6.78651 9.34734 13.6059 7.60506 8.65997 21.1817 17.0949 14.6185 9.62609 numMergedOcc 0
19 mol 227 unq 2 iso 0 dist 9.93154 6.78651 9.34734 13.6059 7.60506 8.65997 13.1968 12.4085 6.43754 6.95902 numMergedOcc 0
20 mol 227 unq 3 iso 0 dist 9.93154 6.78651 9.34734 6.18486 9.51866 7.55216 5.31715 14.4583 11.662 8.83563 numMergedOcc 0
21 mol 227 unq 4 iso 0 dist 9.18218 6.78651 7.56888 10.7118 10.8658 7.22101 13.1968 11.004 6.43754 8.17891 numMergedOcc 0
22 mol 227 unq 5 iso 0 dist 9.18218 6.78651 7.56888 13.6059 9.70012 8.65997 21.1817 16.5207 14.6185 9.62609 numMergedOcc 0
23 mol 227 unq 6 iso 0 dist 9.18218 6.78651 7.56888 13.6059 9.70012 8.65997 13.1968 11.004 6.43754 6.95902 numMergedOcc 0
24 mol 227 unq 7 iso 0 dist 9.18218 6.78651 7.56888 6.18486 4.48529 7.55216 5.31715 12.9801 11.662 8.83563 numMergedOcc 0
25 mol 227 unq 8 iso 0 dist 6.18486 6.78651 7.55216 10.7118 12.4689 7.22101 13.1968 12.8864 6.43754 8.17891 numMergedOcc 0
26 mol 227 unq 9 iso 0 dist 6.18486 6.78651 7.55216 13.6059 12.9332 8.65997 21.1817 19.8174 14.6185 9.62609 numMergedOcc 0
27 mol 227 unq 10 iso 0 dist 6.18486 6.78651 7.55216 13.6059 12.9332 8.65997 13.1968 12.8864 6.43754 6.95902 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 8.34646 6.21372 8.2965 12.8567 10.8081 7.69895 12.3766 14.4409 10.1857 8.50864 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 7.22438 10.3544 8.33638 7.66615 5.40809 8.46116 6.68919 6.73206 5.63139 9.09992 numMergedOcc 0
30 mol 272 unq 1 iso 0 dist 7.22438 10.3544 8.33638 7.66615 5.40809 8.46116 8.13036 10.1966 8.52877 6.16449 numMergedOcc 0
31 mol 272 unq 2 iso 0 dist 7.66615 10.3544 8.46116 7.22438 5.40809 8.33638 6.68919 9.09992 5.63139 6.73206 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 7.70229 8.93697 8.76532 10.9708 10.0156 8.04483 6.63358 10.4802 6.3384 6.85028 numMergedOcc 0
33 mol 282 unq 1 iso 0 dist 7.70229 8.93697 8.76532 7.90792 4.66602 6.33524 6.63358 10.4802 6.3384 7.32347 numMergedOcc 0
34 mol 282 unq 2 iso 0 dist 7.90792 8.93697 6.33524 10.9708 5.39891 8.04483 6.63358 7.32347 6.3384 6.85028 numMergedOcc 0
