0 mol 19 unq 0 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.18512 6.92532 10.1882 6.36455 6.41575 4.97119 4.64838 6.01808 6.39966 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.18512 6.92532 6.36455 10.1882 6.41575 4.97119 6.01808 4.64838 6.39966 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.82074 8.4674 10.3915 4.54938 5.03957 7.67038 5.18512 6.36455 10.1882 6.92532 6.41575 6.01808 4.64838 4.97119 6.39966 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 7.82074 4.54938 5.03957 8.4674 10.3915 7.67038 5.18512 6.36455 6.92532 10.1882 6.41575 6.01808 4.97119 4.64838 6.39966 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 8.33063 6.43294 10.1562 8.7531 7.29309 5.67502 9.62257 9.96399 10.0962 7.55695 11.816 11.2415 9.49968 5.94827 4.65127 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 8.33063 8.7531 7.29309 6.43294 10.1562 5.67502 9.62257 9.96399 7.55695 10.0962 11.816 11.2415 5.94827 9.49968 4.65127 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 8.7531 8.33063 7.29309 6.43294 5.67502 10.1562 9.62257 7.55695 9.96399 10.0962 11.816 5.94827 11.2415 9.49968 4.65127 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 8.7531 6.43294 5.67502 8.33063 7.29309 10.1562 9.62257 7.55695 10.0962 9.96399 11.816 5.94827 9.49968 11.2415 4.65127 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 8.26458 7.04044 8.73253 10.3244 9.24757 5.11416 6.56633 15.3808 6.48232 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 8.26458 7.04044 10.3244 8.73253 9.24757 5.11416 15.3808 6.56633 6.48232 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 8.26458 8.73253 7.04044 10.3244 9.24757 6.56633 5.11416 15.3808 6.48232 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 8.26458 8.73253 10.3244 7.04044 9.24757 6.56633 15.3808 5.11416 6.48232 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.66905 10.7229 6.9948 5.08358 8.00777 7.1589 11.2808 12.0078 11.165 9.29301 13.5116 8.70863 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 7.95579 7.66905 10.7229 6.19965 4.26409 6.9948 5.08358 8.00777 11.2808 7.1589 12.0078 11.165 13.5116 9.29301 8.70863 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 5.08358 7.1589 8.00777 11.2808 12.0078 9.29301 11.165 13.5116 8.70863 numMergedOcc 0
15 mol 85 unq 1 iso 1 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 5.08358 7.1589 11.2808 8.00777 12.0078 9.29301 13.5116 11.165 8.70863 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 12.6602 7.12017 12.6061 18.4011 16.5404 9.75737 14.3758 20.0968 9.5669 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 12.6602 7.12017 18.4011 12.6061 16.5404 9.75737 20.0968 14.3758 9.5669 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 12.6602 7.12017 12.6061 17.8494 16.5404 9.75737 14.3758 19.3554 9.5669 numMergedOcc 0
19 mol 100 unq 1 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 12.6602 7.12017 17.8494 12.6061 16.5404 9.75737 19.3554 14.3758 9.5669 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 12.6602 7.12017 18.4011 17.8494 16.5404 9.75737 20.0968 19.3554 9.5669 numMergedOcc 0
21 mol 100 unq 1 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 12.6602 7.12017 17.8494 18.4011 16.5404 9.75737 19.3554 20.0968 9.5669 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.21418 5.74857 10.0289 10.9766 12.13 5.22052 13.2157 11.8511 8.85881 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.21418 5.74857 10.9766 10.0289 12.13 5.22052 11.8511 13.2157 8.85881 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 8.40312 7.12972 5.55373 6.85062 10.7062 6.63273 5.89022 8.86329 8.71039 11.6142 11.8327 10.3369 7.92788 13.1439 8.92828 numMergedOcc 0
25 mol 131 unq 0 iso 1 dist 8.40312 6.85062 10.7062 7.12972 5.55373 6.63273 5.89022 8.86329 11.6142 8.71039 11.8327 10.3369 13.1439 7.92788 8.92828 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 8.40312 7.12972 5.55373 6.85062 10.7062 6.63273 5.89022 8.86329 8.71039 11.6142 9.90168 7.7567 8.23791 13.7237 5.56627 numMergedOcc 0
27 mol 131 unq 1 iso 1 dist 8.40312 6.85062 10.7062 7.12972 5.55373 6.63273 5.89022 8.86329 11.6142 8.71039 9.90168 7.7567 13.7237 8.23791 5.56627 numMergedOcc 0
28 mol 131 unq 2 iso 0 dist 7.12972 8.40312 5.55373 6.85062 6.63273 10.7062 5.89022 8.71039 8.86329 11.6142 11.8327 7.92788 10.3369 13.1439 8.92828 numMergedOcc 0
29 mol 131 unq 2 iso 1 dist 7.12972 6.85062 6.63273 8.40312 5.55373 10.7062 5.89022 8.71039 11.6142 8.86329 11.8327 7.92788 13.1439 10.3369 8.92828 numMergedOcc 0
30 mol 131 unq 3 iso 0 dist 7.12972 8.40312 5.55373 6.85062 6.63273 10.7062 5.89022 8.71039 8.86329 11.6142 9.90168 8.23791 7.7567 13.7237 5.56627 numMergedOcc 0
31 mol 131 unq 3 iso 1 dist 7.12972 6.85062 6.63273 8.40312 5.55373 10.7062 5.89022 8.71039 11.6142 8.86329 9.90168 8.23791 13.7237 7.7567 5.56627 numMergedOcc 0
32 mol 131 unq 4 iso 0 dist 7.12972 8.40312 5.55373 6.85062 6.63273 10.7062 9.32969 6.92648 11.4206 9.29384 11.8327 7.92788 10.3369 13.1439 5.44303 numMergedOcc 0
33 mol 131 unq 4 iso 1 dist 7.12972 6.85062 6.63273 8.40312 5.55373 10.7062 9.32969 6.92648 9.29384 11.4206 11.8327 7.92788 13.1439 10.3369 5.44303 numMergedOcc 0
34 mol 131 unq 5 iso 0 dist 7.12972 8.40312 5.55373 6.85062 6.63273 10.7062 9.32969 6.92648 11.4206 9.29384 9.90168 8.23791 7.7567 13.7237 8.50562 numMergedOcc 0
35 mol 131 unq 5 iso 1 dist 7.12972 6.85062 6.63273 8.40312 5.55373 10.7062 9.32969 6.92648 9.29384 11.4206 9.90168 8.23791 13.7237 7.7567 8.50562 numMergedOcc 0
36 mol 131 unq 6 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 9.32969 9.29384 11.4206 6.92648 11.8327 13.1439 10.3369 7.92788 5.44303 numMergedOcc 0
37 mol 131 unq 6 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 9.32969 9.29384 6.92648 11.4206 11.8327 13.1439 7.92788 10.3369 5.44303 numMergedOcc 0
38 mol 131 unq 7 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 9.32969 9.29384 11.4206 6.92648 9.90168 13.7237 7.7567 8.23791 8.50562 numMergedOcc 0
39 mol 131 unq 7 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 9.32969 9.29384 6.92648 11.4206 9.90168 13.7237 8.23791 7.7567 8.50562 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 9.4027 8.20836 10.873 13.846 6.23142 4.57832 5.29786 5.71679 9.30061 numMergedOcc 0
41 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 9.4027 8.20836 13.846 10.873 6.23142 4.57832 5.71679 5.29786 9.30061 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 7.80463 8.18714 13.8543 5.28092 8.44861 5.60393 11.3521 9.53629 13.0658 14.4523 9.05555 9.17946 numMergedOcc 0
43 mol 205 unq 0 iso 1 dist 6.03031 7.80463 8.18714 7.26832 7.38516 13.8543 5.28092 8.44861 11.3521 5.60393 9.53629 13.0658 9.05555 14.4523 9.17946 numMergedOcc 0
44 mol 205 unq 1 iso 0 dist 7.26832 6.03031 7.38516 7.80463 13.8543 8.18714 5.28092 5.60393 8.44861 11.3521 9.53629 14.4523 13.0658 9.05555 9.17946 numMergedOcc 0
45 mol 205 unq 1 iso 1 dist 7.26832 7.80463 13.8543 6.03031 7.38516 8.18714 5.28092 5.60393 11.3521 8.44861 9.53629 14.4523 9.05555 13.0658 9.17946 numMergedOcc 0
46 mol 227 unq 0 iso 0 dist 7.55216 9.34734 9.51866 7.22101 12.4689 6.99063 10.6244 5.87815 13.9889 16.0894 13.0798 6.67321 10.3825 15.6713 7.95359 numMergedOcc 0
47 mol 227 unq 0 iso 1 dist 7.55216 7.22101 12.4689 9.34734 9.51866 6.99063 10.6244 5.87815 16.0894 13.9889 13.0798 6.67321 15.6713 10.3825 7.95359 numMergedOcc 0
48 mol 227 unq 1 iso 0 dist 7.55216 9.34734 9.51866 8.65997 12.9332 7.60506 10.6244 5.87815 13.9889 17.8603 13.0798 6.67321 10.3825 16.6985 7.95359 numMergedOcc 0
49 mol 227 unq 1 iso 1 dist 7.55216 8.65997 12.9332 9.34734 9.51866 7.60506 10.6244 5.87815 17.8603 13.9889 13.0798 6.67321 16.6985 10.3825 7.95359 numMergedOcc 0
50 mol 227 unq 2 iso 0 dist 7.55216 9.34734 9.51866 7.56888 4.48529 7.43198 10.6244 5.87815 13.9889 10.3595 13.0798 6.67321 10.3825 8.86483 7.95359 numMergedOcc 0
51 mol 227 unq 2 iso 1 dist 7.55216 7.56888 4.48529 9.34734 9.51866 7.43198 10.6244 5.87815 10.3595 13.9889 13.0798 6.67321 8.86483 10.3825 7.95359 numMergedOcc 0
52 mol 227 unq 1 iso 0 dist 7.55216 7.22101 12.4689 8.65997 12.9332 5.22356 10.6244 5.87815 16.0894 17.8603 13.0798 6.67321 15.6713 16.6985 7.95359 numMergedOcc 0
53 mol 227 unq 1 iso 1 dist 7.55216 8.65997 12.9332 7.22101 12.4689 5.22356 10.6244 5.87815 17.8603 16.0894 13.0798 6.67321 16.6985 15.6713 7.95359 numMergedOcc 0
54 mol 227 unq 2 iso 0 dist 7.55216 7.22101 12.4689 7.56888 4.48529 10.8658 10.6244 5.87815 16.0894 10.3595 13.0798 6.67321 15.6713 8.86483 7.95359 numMergedOcc 0
55 mol 227 unq 2 iso 1 dist 7.55216 7.56888 4.48529 7.22101 12.4689 10.8658 10.6244 5.87815 10.3595 16.0894 13.0798 6.67321 8.86483 15.6713 7.95359 numMergedOcc 0
56 mol 227 unq 2 iso 0 dist 7.55216 8.65997 12.9332 7.56888 4.48529 9.70012 10.6244 5.87815 17.8603 10.3595 13.0798 6.67321 16.6985 8.86483 7.95359 numMergedOcc 0
57 mol 227 unq 2 iso 1 dist 7.55216 7.56888 4.48529 8.65997 12.9332 9.70012 10.6244 5.87815 10.3595 17.8603 13.0798 6.67321 8.86483 16.6985 7.95359 numMergedOcc 0
58 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 9.2288 11.7918 8.41807 5.25252 6.86945 12.322 12.2615 11.0831 6.35641 19.1145 16.9237 7.39391 numMergedOcc 0
59 mol 252 unq 0 iso 1 dist 7.19638 9.2288 11.7918 8.33025 14.9102 8.41807 5.25252 6.86945 12.2615 12.322 11.0831 6.35641 16.9237 19.1145 7.39391 numMergedOcc 0
