0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 8.71745 10.4155 5.74188 5.94084 5.47769 6.58035 12.1189 9.81307 8.43054 11.1513 16.7405 4.68733 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 8.71745 10.4155 5.46498 5.32694 5.74188 5.94084 5.47769 12.1189 6.58035 9.81307 8.43054 16.7405 11.1513 4.68733 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 9.55426 5.90225 9.7274 6.75888 6.40841 10.335 6.31428 5.61579 8.69057 5.38524 13.1897 11.0945 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 7.32874 9.55426 5.90225 6.81627 5.47421 9.7274 6.75888 6.40841 6.31428 10.335 5.61579 8.69057 13.1897 5.38524 11.0945 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.62496 6.86465 5.30792 6.35756 4.81926 5.35073 4.67832 9.64665 11.4118 9.66798 9.87158 9.22598 13.3281 8.96727 8.59939 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 6.62496 6.35756 4.81926 6.86465 5.30792 5.35073 4.67832 9.64665 9.66798 11.4118 9.87158 9.22598 8.96727 13.3281 8.59939 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 6.47744 8.89374 8.63333 11.5023 9.87158 8.96727 13.3281 9.22598 14.6599 numMergedOcc 0
7 mol 58 unq 2 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 6.47744 8.89374 11.5023 8.63333 9.87158 8.96727 9.22598 13.3281 14.6599 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 6.47744 8.89374 8.63333 11.5023 5.86526 8.01308 11.5155 9.55996 9.47022 numMergedOcc 0
9 mol 58 unq 3 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 6.47744 8.89374 11.5023 8.63333 5.86526 8.01308 9.55996 11.5155 9.47022 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 7.41074 8.70133 4.65521 15.9587 5.70116 9.73086 7.4369 12.8207 6.15714 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 7.41074 8.70133 15.9587 4.65521 5.70116 9.73086 12.8207 7.4369 6.15714 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 7.41074 4.65521 8.70133 15.9587 6.20232 8.68662 12.2276 13.8931 6.10063 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 7.41074 4.65521 15.9587 8.70133 6.20232 8.68662 13.8931 12.2276 6.10063 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 7.41074 4.65521 8.70133 15.9587 5.70116 7.4369 9.73086 12.8207 6.15714 numMergedOcc 0
15 mol 73 unq 2 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 7.41074 4.65521 15.9587 8.70133 5.70116 7.4369 12.8207 9.73086 6.15714 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1589 8.72704 10.5193 15.8984 5.9143 7.82475 11.9928 10.694 12.5061 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 10.1589 8.72704 15.8984 10.5193 5.9143 7.82475 10.694 11.9928 12.5061 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1589 8.72704 10.5193 15.8984 5.47563 5.35782 9.94341 9.82522 12.1093 numMergedOcc 0
19 mol 100 unq 1 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 10.1589 8.72704 15.8984 10.5193 5.47563 5.35782 9.82522 9.94341 12.1093 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1589 8.72704 10.5193 14.8726 5.9143 7.82475 11.9928 14.966 12.5061 numMergedOcc 0
21 mol 100 unq 2 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 10.1589 8.72704 14.8726 10.5193 5.9143 7.82475 14.966 11.9928 12.5061 numMergedOcc 0
22 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1589 8.72704 10.5193 14.8726 5.47563 5.35782 9.94341 13.4844 12.1093 numMergedOcc 0
23 mol 100 unq 3 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 10.1589 8.72704 14.8726 10.5193 5.47563 5.35782 13.4844 9.94341 12.1093 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 10.1589 8.72704 15.8984 14.8726 5.9143 7.82475 10.694 14.966 12.5061 numMergedOcc 0
25 mol 100 unq 2 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 10.1589 8.72704 14.8726 15.8984 5.9143 7.82475 14.966 10.694 12.5061 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 10.1589 8.72704 15.8984 14.8726 5.47563 5.35782 9.82522 13.4844 12.1093 numMergedOcc 0
27 mol 100 unq 3 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 10.1589 8.72704 14.8726 15.8984 5.47563 5.35782 13.4844 9.82522 12.1093 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 10.9739 7.76729 17.6696 12.9821 6.01673 6.24825 13.22 10.0255 5.78043 numMergedOcc 0
29 mol 115 unq 0 iso 1 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 10.9739 7.76729 12.9821 17.6696 6.01673 6.24825 10.0255 13.22 5.78043 numMergedOcc 0
30 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 7.0603 9.3584 7.21564 4.91401 6.62561 7.63616 10.6107 10.5783 6.10127 11.6387 14.762 6.95589 numMergedOcc 0
31 mol 117 unq 0 iso 1 dist 7.90328 7.0603 9.3584 7.83136 7.22206 7.21564 4.91401 6.62561 10.6107 7.63616 10.5783 6.10127 14.762 11.6387 6.95589 numMergedOcc 0
32 mol 117 unq 1 iso 0 dist 7.83136 7.90328 7.22206 7.0603 7.21564 9.3584 4.91401 7.63616 6.62561 10.6107 3.55765 8.19331 10.4223 8.85711 5.56883 numMergedOcc 0
33 mol 117 unq 1 iso 1 dist 7.83136 7.0603 7.21564 7.90328 7.22206 9.3584 4.91401 7.63616 10.6107 6.62561 3.55765 8.19331 8.85711 10.4223 5.56883 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 5.41704 8.79571 5.42582 8.6355 8.06642 7.21868 7.93372 11.988 5.67107 numMergedOcc 0
35 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 5.41704 8.79571 8.6355 5.42582 8.06642 7.21868 11.988 7.93372 5.67107 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 5.41704 5.42582 8.79571 8.6355 6.95573 9.33924 13.9752 9.55584 6.0991 numMergedOcc 0
37 mol 134 unq 1 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 5.41704 5.42582 8.6355 8.79571 6.95573 9.33924 9.55584 13.9752 6.0991 numMergedOcc 0
38 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 5.41704 5.42582 8.79571 8.6355 8.06642 7.93372 7.21868 11.988 5.67107 numMergedOcc 0
39 mol 134 unq 2 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 5.41704 5.42582 8.6355 8.79571 8.06642 7.93372 11.988 7.21868 5.67107 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 6.57273 8.95269 4.70378 5.78342 8.49799 11.5372 5.29877 6.65984 6.67585 10.667 7.05804 8.79428 13.2325 6.8692 10.9705 numMergedOcc 0
41 mol 224 unq 0 iso 1 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 5.29877 6.65984 10.667 6.67585 7.05804 8.79428 6.8692 13.2325 10.9705 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 6.60589 6.65832 6.77699 9.16166 8.49799 11.328 6.12232 6.65984 11.0097 10.667 5.76843 8.79428 6.99769 6.8692 10.9705 numMergedOcc 0
43 mol 224 unq 1 iso 1 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 6.12232 6.65984 10.667 11.0097 5.76843 8.79428 6.8692 6.99769 10.9705 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 6.43754 8.17891 12.4085 6.95902 5.0317 5.23634 10.7855 6.91318 4.09934 numMergedOcc 0
45 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 6.43754 8.17891 6.95902 12.4085 5.0317 5.23634 6.91318 10.7855 4.09934 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 6.43754 8.17891 12.4085 11.004 5.0317 5.23634 10.7855 11.2661 4.09934 numMergedOcc 0
47 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 6.43754 8.17891 11.004 12.4085 5.0317 5.23634 11.2661 10.7855 4.09934 numMergedOcc 0
48 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 6.43754 8.17891 12.4085 12.8864 5.0317 5.23634 10.7855 12.3663 4.09934 numMergedOcc 0
49 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 6.43754 8.17891 12.8864 12.4085 5.0317 5.23634 12.3663 10.7855 4.09934 numMergedOcc 0
50 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 6.43754 8.17891 6.95902 11.004 5.0317 5.23634 6.91318 11.2661 4.09934 numMergedOcc 0
51 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 6.43754 8.17891 11.004 6.95902 5.0317 5.23634 11.2661 6.91318 4.09934 numMergedOcc 0
52 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 6.43754 8.17891 6.95902 12.8864 5.0317 5.23634 6.91318 12.3663 4.09934 numMergedOcc 0
53 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 6.43754 8.17891 12.8864 6.95902 5.0317 5.23634 12.3663 6.91318 4.09934 numMergedOcc 0
54 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 6.43754 8.17891 11.004 12.8864 5.0317 5.23634 11.2661 12.3663 4.09934 numMergedOcc 0
55 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 6.43754 8.17891 12.8864 11.004 5.0317 5.23634 12.3663 11.2661 4.09934 numMergedOcc 0
56 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 14.6185 9.62609 17.0949 13.4493 5.0317 6.91318 10.7855 5.23634 11.5454 numMergedOcc 0
57 mol 227 unq 3 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 14.6185 9.62609 13.4493 17.0949 5.0317 6.91318 5.23634 10.7855 11.5454 numMergedOcc 0
58 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 6.43754 6.95902 12.4085 8.17891 5.0317 6.91318 10.7855 5.23634 4.09934 numMergedOcc 0
59 mol 227 unq 4 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 6.43754 6.95902 8.17891 12.4085 5.0317 6.91318 5.23634 10.7855 4.09934 numMergedOcc 0
60 mol 227 unq 5 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 14.6185 9.62609 17.0949 16.5207 5.0317 6.91318 10.7855 11.2661 11.5454 numMergedOcc 0
61 mol 227 unq 5 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 14.6185 9.62609 16.5207 17.0949 5.0317 6.91318 11.2661 10.7855 11.5454 numMergedOcc 0
62 mol 227 unq 6 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 6.43754 6.95902 12.4085 11.004 5.0317 6.91318 10.7855 11.2661 4.09934 numMergedOcc 0
63 mol 227 unq 6 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 6.43754 6.95902 11.004 12.4085 5.0317 6.91318 11.2661 10.7855 4.09934 numMergedOcc 0
64 mol 227 unq 7 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 14.6185 9.62609 17.0949 19.8174 5.0317 6.91318 10.7855 12.3663 11.5454 numMergedOcc 0
65 mol 227 unq 7 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 14.6185 9.62609 19.8174 17.0949 5.0317 6.91318 12.3663 10.7855 11.5454 numMergedOcc 0
66 mol 227 unq 8 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 6.43754 6.95902 12.4085 12.8864 5.0317 6.91318 10.7855 12.3663 4.09934 numMergedOcc 0
67 mol 227 unq 8 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 6.43754 6.95902 12.8864 12.4085 5.0317 6.91318 12.3663 10.7855 4.09934 numMergedOcc 0
68 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 14.6185 9.62609 13.4493 16.5207 5.0317 6.91318 5.23634 11.2661 11.5454 numMergedOcc 0
69 mol 227 unq 5 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 14.6185 9.62609 16.5207 13.4493 5.0317 6.91318 11.2661 5.23634 11.5454 numMergedOcc 0
70 mol 227 unq 6 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 6.43754 6.95902 8.17891 11.004 5.0317 6.91318 5.23634 11.2661 4.09934 numMergedOcc 0
71 mol 227 unq 6 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 6.43754 6.95902 11.004 8.17891 5.0317 6.91318 11.2661 5.23634 4.09934 numMergedOcc 0
72 mol 227 unq 7 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 14.6185 9.62609 13.4493 19.8174 5.0317 6.91318 5.23634 12.3663 11.5454 numMergedOcc 0
73 mol 227 unq 7 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 14.6185 9.62609 19.8174 13.4493 5.0317 6.91318 12.3663 5.23634 11.5454 numMergedOcc 0
74 mol 227 unq 8 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 6.43754 6.95902 8.17891 12.8864 5.0317 6.91318 5.23634 12.3663 4.09934 numMergedOcc 0
75 mol 227 unq 8 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 6.43754 6.95902 12.8864 8.17891 5.0317 6.91318 12.3663 5.23634 4.09934 numMergedOcc 0
76 mol 227 unq 7 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 14.6185 9.62609 16.5207 19.8174 5.0317 6.91318 11.2661 12.3663 11.5454 numMergedOcc 0
77 mol 227 unq 7 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 14.6185 9.62609 19.8174 16.5207 5.0317 6.91318 12.3663 11.2661 11.5454 numMergedOcc 0
78 mol 227 unq 8 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 6.43754 6.95902 11.004 12.8864 5.0317 6.91318 11.2661 12.3663 4.09934 numMergedOcc 0
79 mol 227 unq 8 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 6.43754 6.95902 12.8864 11.004 5.0317 6.91318 12.3663 11.2661 4.09934 numMergedOcc 0
80 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 8.2965 10.8081 5.86196 10.1857 8.50864 11.9152 14.4409 4.58289 9.05018 9.33962 11.4547 13.1523 numMergedOcc 0
81 mol 248 unq 0 iso 1 dist 7.69895 8.2965 10.8081 7.21521 5.55137 5.86196 10.1857 8.50864 14.4409 11.9152 4.58289 9.05018 11.4547 9.33962 13.1523 numMergedOcc 0
