0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 8.71745 10.4155 5.74188 9.81307 8.43054 11.1513 16.7405 12.5273 6.92781 10.7015 16.241 6.57331 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 8.71745 10.4155 5.46498 5.32694 5.74188 9.81307 8.43054 16.7405 11.1513 12.5273 6.92781 16.241 10.7015 6.57331 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 9.55426 9.7274 5.90225 5.61579 5.38524 8.69057 13.1897 11.715 5.79773 10.8779 14.4309 8.66539 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 6.81627 9.55426 9.7274 7.32874 5.47421 5.90225 5.61579 5.38524 13.1897 8.69057 11.715 5.79773 14.4309 10.8779 8.66539 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.32874 6.81627 5.47421 9.55426 5.90225 9.7274 5.61579 8.69057 5.38524 13.1897 11.715 10.8779 5.79773 14.4309 8.66539 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 7.32874 9.55426 5.90225 6.81627 5.47421 9.7274 5.61579 8.69057 13.1897 5.38524 11.715 10.8779 14.4309 5.79773 8.66539 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 8.62476 7.57295 12.8147 8.4312 11.5843 6.54743 12.2509 5.00018 7.48086 numMergedOcc 0
7 mol 60 unq 0 iso 1 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 8.62476 7.57295 8.4312 12.8147 11.5843 6.54743 5.00018 12.2509 7.48086 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 8.7531 8.33063 7.29309 6.43294 5.67502 10.1562 8.62476 8.4312 12.8147 7.57295 11.5843 5.00018 12.2509 6.54743 7.48086 numMergedOcc 0
9 mol 60 unq 1 iso 1 dist 8.7531 6.43294 5.67502 8.33063 7.29309 10.1562 8.62476 8.4312 7.57295 12.8147 11.5843 5.00018 6.54743 12.2509 7.48086 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 11.2069 5.5087 13.3207 13.8368 16.0098 8.07446 18.8875 19.3309 5.61588 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 11.2069 5.5087 13.8368 13.3207 16.0098 8.07446 19.3309 18.8875 5.61588 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 10.6713 6.08682 14.498 14.5999 16.0098 8.07446 18.8875 19.3309 7.83244 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 10.6713 6.08682 14.5999 14.498 16.0098 8.07446 19.3309 18.8875 7.83244 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.10456 8.40073 9.42358 3.9764 5.10496 5.92242 5.2571 10.1136 10.2427 13.9786 5.02887 8.7497 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 5.08437 6.10456 8.40073 6.48948 9.51923 9.42358 3.9764 5.10496 5.2571 5.92242 10.1136 10.2427 5.02887 13.9786 8.7497 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 6.48948 5.08437 9.51923 6.10456 9.42358 8.40073 3.9764 5.92242 5.10496 5.2571 10.1136 13.9786 10.2427 5.02887 8.7497 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 3.9764 5.92242 5.2571 5.10496 10.1136 13.9786 5.02887 10.2427 8.7497 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 10.4782 7.54889 9.81956 10.8223 17.4071 13.659 18.6405 14.7899 9.64383 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 10.4782 7.54889 10.8223 9.81956 17.4071 13.659 14.7899 18.6405 9.64383 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 10.4782 7.54889 9.81956 10.8223 10.1136 5.02887 10.2427 13.9786 7.78931 numMergedOcc 0
21 mol 98 unq 3 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 10.4782 7.54889 10.8223 9.81956 10.1136 5.02887 13.9786 10.2427 7.78931 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 3.9764 5.2571 5.10496 5.92242 10.1136 5.02887 10.2427 13.9786 8.7497 numMergedOcc 0
23 mol 98 unq 4 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 3.9764 5.2571 5.92242 5.10496 10.1136 5.02887 13.9786 10.2427 8.7497 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 9.35224 7.80879 8.87654 4.03277 8.91882 10.5432 11.5088 10.1489 10.8375 10.8586 15.1999 9.21662 numMergedOcc 0
25 mol 100 unq 0 iso 1 dist 9.60661 9.35224 7.80879 7.17106 11.5403 8.87654 4.03277 8.91882 11.5088 10.5432 10.1489 10.8375 15.1999 10.8586 9.21662 numMergedOcc 0
26 mol 100 unq 1 iso 0 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 6.23008 8.91882 9.76432 11.5088 13.2001 10.8375 16.3949 15.1999 9.21662 numMergedOcc 0
27 mol 100 unq 1 iso 1 dist 6.65086 6.56369 7.80879 7.47343 8.8807 12.6515 6.23008 8.91882 11.5088 9.76432 13.2001 10.8375 15.1999 16.3949 9.21662 numMergedOcc 0
28 mol 100 unq 2 iso 0 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 6.23008 8.91882 9.76432 11.6812 13.2001 10.8375 16.3949 11.2306 9.21662 numMergedOcc 0
29 mol 100 unq 2 iso 1 dist 6.65086 9.30209 5.38414 7.47343 8.8807 13.887 6.23008 8.91882 11.6812 9.76432 13.2001 10.8375 11.2306 16.3949 9.21662 numMergedOcc 0
30 mol 100 unq 2 iso 0 dist 6.65086 6.56369 7.80879 9.30209 5.38414 6.39938 6.23008 8.91882 11.5088 11.6812 13.2001 10.8375 15.1999 11.2306 9.21662 numMergedOcc 0
31 mol 100 unq 2 iso 1 dist 6.65086 9.30209 5.38414 6.56369 7.80879 6.39938 6.23008 8.91882 11.6812 11.5088 13.2001 10.8375 11.2306 15.1999 9.21662 numMergedOcc 0
32 mol 109 unq 0 iso 0 dist 7.34473 8.58044 7 9.97763 8.40993 6.94915 13.0886 7.86666 14.3511 15.7916 21.5605 17.2949 24.0538 24.4429 9.77497 numMergedOcc 0
33 mol 109 unq 0 iso 1 dist 7.34473 9.97763 8.40993 8.58044 7 6.94915 13.0886 7.86666 15.7916 14.3511 21.5605 17.2949 24.4429 24.0538 9.77497 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 7.24514 9.91388 6.761 9.52634 7.6656 6.69554 5.03174 8.26547 12.4934 13.5471 10.2995 5.61668 8.28069 12.4308 9.05342 numMergedOcc 0
35 mol 133 unq 0 iso 1 dist 7.24514 9.52634 7.6656 9.91388 6.761 6.69554 5.03174 8.26547 13.5471 12.4934 10.2995 5.61668 12.4308 8.28069 9.05342 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 8.06642 7.21868 7.93372 11.988 11.7385 5.62899 10.7144 12.8168 9.66543 numMergedOcc 0
37 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 8.06642 7.21868 11.988 7.93372 11.7385 5.62899 12.8168 10.7144 9.66543 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 8.06642 7.93372 7.21868 11.988 11.7385 10.7144 5.62899 12.8168 9.66543 numMergedOcc 0
39 mol 134 unq 1 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 8.06642 7.93372 11.988 7.21868 11.7385 10.7144 12.8168 5.62899 9.66543 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 9.15386 12.1628 5.16002 12.9532 9.76212 13.2783 18.2853 9.94371 6.01247 12.6324 16.5106 8.59874 numMergedOcc 0
41 mol 181 unq 0 iso 1 dist 9.1374 9.15386 12.1628 5.98885 8.88798 5.16002 12.9532 9.76212 18.2853 13.2783 9.94371 6.01247 16.5106 12.6324 8.59874 numMergedOcc 0
42 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 8.87694 5.74635 14.9058 11.0961 6.61112 18.4751 11.456 14.4482 7.09479 18.5655 10.3628 8.90571 numMergedOcc 0
43 mol 186 unq 0 iso 1 dist 7.54065 8.87694 5.74635 9.70748 13.8792 14.9058 11.0961 6.61112 11.456 18.4751 14.4482 7.09479 10.3628 18.5655 8.90571 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 6.57273 8.95269 4.70378 5.78342 8.49799 11.5372 7.05804 8.79428 13.2325 6.8692 10.103 6.77699 10.9861 11.328 6.99769 numMergedOcc 0
45 mol 224 unq 0 iso 1 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 7.05804 8.79428 6.8692 13.2325 10.103 6.77699 11.328 10.9861 6.99769 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 5.78342 8.95269 11.5372 6.57273 8.49799 4.70378 7.05804 6.8692 13.2325 8.79428 10.103 11.328 10.9861 6.77699 6.99769 numMergedOcc 0
47 mol 224 unq 1 iso 1 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 7.05804 6.8692 8.79428 13.2325 10.103 11.328 6.77699 10.9861 6.99769 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 5.0317 5.23634 10.7855 11.2661 8.65997 5.22356 7.60506 9.70012 6.91318 numMergedOcc 0
49 mol 227 unq 0 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 5.0317 5.23634 11.2661 10.7855 8.65997 5.22356 9.70012 7.60506 6.91318 numMergedOcc 0
50 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 5.0317 5.23634 10.7855 12.3663 8.65997 5.22356 7.60506 12.9332 6.91318 numMergedOcc 0
51 mol 227 unq 1 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 5.0317 5.23634 12.3663 10.7855 8.65997 5.22356 12.9332 7.60506 6.91318 numMergedOcc 0
52 mol 227 unq 1 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 5.0317 5.23634 11.2661 12.3663 8.65997 5.22356 9.70012 12.9332 6.91318 numMergedOcc 0
53 mol 227 unq 1 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 5.0317 5.23634 12.3663 11.2661 8.65997 5.22356 12.9332 9.70012 6.91318 numMergedOcc 0
54 mol 227 unq 2 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 5.0317 6.91318 10.7855 11.2661 7.22101 5.22356 6.99063 10.8658 5.23634 numMergedOcc 0
55 mol 227 unq 2 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 5.0317 6.91318 11.2661 10.7855 7.22101 5.22356 10.8658 6.99063 5.23634 numMergedOcc 0
56 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 5.0317 6.91318 10.7855 12.3663 7.22101 5.22356 6.99063 12.4689 5.23634 numMergedOcc 0
57 mol 227 unq 3 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 5.0317 6.91318 12.3663 10.7855 7.22101 5.22356 12.4689 6.99063 5.23634 numMergedOcc 0
58 mol 227 unq 3 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 5.0317 6.91318 11.2661 12.3663 7.22101 5.22356 10.8658 12.4689 5.23634 numMergedOcc 0
59 mol 227 unq 3 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 5.0317 6.91318 12.3663 11.2661 7.22101 5.22356 12.4689 10.8658 5.23634 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 9.18903 10.4881 5.87173 11.6988 9.46361 12.8903 17.104 7.46176 6.96053 7.64658 10.5239 6.95511 numMergedOcc 0
61 mol 259 unq 0 iso 1 dist 7.88519 9.18903 10.4881 7.84554 4.86771 5.87173 11.6988 9.46361 17.104 12.8903 7.46176 6.96053 10.5239 7.64658 6.95511 numMergedOcc 0
62 mol 259 unq 1 iso 0 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 10.067 5.85442 10.3406 12.8546 12.0576 9.98105 15.8535 16.9228 6.9899 numMergedOcc 0
63 mol 259 unq 1 iso 1 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 10.067 5.85442 12.8546 10.3406 12.0576 9.98105 16.9228 15.8535 6.9899 numMergedOcc 0
64 mol 259 unq 2 iso 0 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 10.067 5.85442 10.3406 16.0301 12.0576 9.98105 15.8535 17.9439 6.9899 numMergedOcc 0
65 mol 259 unq 2 iso 1 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 10.067 5.85442 16.0301 10.3406 12.0576 9.98105 17.9439 15.8535 6.9899 numMergedOcc 0
66 mol 259 unq 2 iso 0 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 10.067 5.85442 12.8546 16.0301 12.0576 9.98105 16.9228 17.9439 6.9899 numMergedOcc 0
67 mol 259 unq 2 iso 1 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 10.067 5.85442 16.0301 12.8546 12.0576 9.98105 17.9439 16.9228 6.9899 numMergedOcc 0
68 mol 259 unq 3 iso 0 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 11.6988 6.95511 12.8903 17.104 7.88519 6.96053 4.86771 10.4881 9.46361 numMergedOcc 0
69 mol 259 unq 3 iso 1 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 11.6988 6.95511 17.104 12.8903 7.88519 6.96053 10.4881 4.86771 9.46361 numMergedOcc 0
