0 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 9.55426 9.7274 5.90225 7.21955 7.09066 7.12541 5.74871 5.61579 5.38524 8.69057 13.1897 10.4354 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 6.81627 9.55426 9.7274 7.32874 5.47421 5.90225 7.21955 7.09066 5.74871 7.12541 5.61579 5.38524 13.1897 8.69057 10.4354 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.32874 6.81627 5.47421 9.55426 5.90225 9.7274 7.21955 7.12541 7.09066 5.74871 5.61579 8.69057 5.38524 13.1897 10.4354 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 7.32874 9.55426 5.90225 6.81627 5.47421 9.7274 7.21955 7.12541 5.74871 7.09066 5.61579 8.69057 13.1897 5.38524 10.4354 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 6.35756 4.81926 5.35073 8.80614 9.95364 10.2049 5.49591 9.87158 9.22598 13.3281 8.96727 9.01564 numMergedOcc 0
5 mol 58 unq 2 iso 1 dist 6.62496 6.35756 4.81926 6.86465 5.30792 5.35073 8.80614 9.95364 5.49591 10.2049 9.87158 9.22598 8.96727 13.3281 9.01564 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 8.80614 5.49591 10.2049 9.95364 9.87158 8.96727 13.3281 9.22598 9.01564 numMergedOcc 0
7 mol 58 unq 3 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 8.80614 5.49591 9.95364 10.2049 9.87158 8.96727 9.22598 13.3281 9.01564 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 8.80614 5.49591 10.2049 9.95364 5.86526 8.01308 11.5155 9.55996 7.11065 numMergedOcc 0
9 mol 58 unq 4 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 8.80614 5.49591 9.95364 10.2049 5.86526 8.01308 9.55996 11.5155 7.11065 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 9.24757 5.11416 6.56633 15.3808 5.70116 9.73086 7.4369 12.8207 6.14542 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 9.24757 5.11416 15.3808 6.56633 5.70116 9.73086 12.8207 7.4369 6.14542 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 9.24757 6.56633 5.11416 15.3808 6.20232 8.68662 12.2276 13.8931 8.96616 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 9.24757 6.56633 15.3808 5.11416 6.20232 8.68662 13.8931 12.2276 8.96616 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 9.24757 6.56633 5.11416 15.3808 5.70116 7.4369 9.73086 12.8207 6.14542 numMergedOcc 0
15 mol 73 unq 2 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 9.24757 6.56633 15.3808 5.11416 5.70116 7.4369 12.8207 9.73086 6.14542 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 9.24757 15.3808 5.11416 6.56633 11.2069 5.5087 13.3207 13.8368 14.6027 numMergedOcc 0
17 mol 73 unq 3 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 9.24757 15.3808 6.56633 5.11416 11.2069 5.5087 13.8368 13.3207 14.6027 numMergedOcc 0
18 mol 73 unq 4 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 9.24757 15.3808 5.11416 6.56633 10.6713 6.08682 14.498 14.5999 13.8591 numMergedOcc 0
19 mol 73 unq 4 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 9.24757 15.3808 6.56633 5.11416 10.6713 6.08682 14.5999 14.498 13.8591 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 9.49454 11.4333 13.3662 12.0666 11.3215 9.3948 19.7448 19.9408 16.0499 numMergedOcc 0
21 mol 95 unq 0 iso 1 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 9.49454 11.4333 12.0666 13.3662 11.3215 9.3948 19.9408 19.7448 16.0499 numMergedOcc 0
22 mol 95 unq 1 iso 0 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 9.49454 11.4333 13.3662 12.0666 5.06946 9.74607 11.97 13.5721 12.4483 numMergedOcc 0
23 mol 95 unq 1 iso 1 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 9.49454 11.4333 12.0666 13.3662 5.06946 9.74607 13.5721 11.97 12.4483 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.10456 8.40073 9.42358 6.65501 4.4057 7.42446 9.67482 3.9764 5.10496 5.92242 5.2571 4.62494 numMergedOcc 0
25 mol 98 unq 0 iso 1 dist 5.08437 6.10456 8.40073 6.48948 9.51923 9.42358 6.65501 4.4057 9.67482 7.42446 3.9764 5.10496 5.2571 5.92242 4.62494 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 6.48948 5.08437 9.51923 6.10456 9.42358 8.40073 6.65501 7.42446 4.4057 9.67482 3.9764 5.92242 5.10496 5.2571 4.62494 numMergedOcc 0
27 mol 98 unq 1 iso 1 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 6.65501 7.42446 9.67482 4.4057 3.9764 5.92242 5.2571 5.10496 4.62494 numMergedOcc 0
28 mol 98 unq 2 iso 0 dist 6.48948 5.08437 9.51923 6.10456 9.42358 8.40073 6.65501 7.42446 4.4057 9.67482 7.03983 7.02507 9.89095 12.7417 9.84743 numMergedOcc 0
29 mol 98 unq 2 iso 1 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 6.65501 7.42446 9.67482 4.4057 7.03983 7.02507 12.7417 9.89095 9.84743 numMergedOcc 0
30 mol 98 unq 3 iso 0 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 6.65501 9.67482 4.4057 7.42446 10.4782 7.54889 9.81956 10.8223 8.46823 numMergedOcc 0
31 mol 98 unq 3 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 6.65501 9.67482 7.42446 4.4057 10.4782 7.54889 10.8223 9.81956 8.46823 numMergedOcc 0
32 mol 98 unq 4 iso 0 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 6.65501 9.67482 4.4057 7.42446 3.9764 5.2571 5.10496 5.92242 4.62494 numMergedOcc 0
33 mol 98 unq 4 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 6.65501 9.67482 7.42446 4.4057 3.9764 5.2571 5.92242 5.10496 4.62494 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 9.35224 7.80879 8.87654 7.01812 5.80144 8.4128 10.0456 4.03277 8.91882 10.5432 11.5088 6.59691 numMergedOcc 0
35 mol 100 unq 0 iso 1 dist 9.60661 9.35224 7.80879 7.17106 11.5403 8.87654 7.01812 5.80144 10.0456 8.4128 4.03277 8.91882 11.5088 10.5432 6.59691 numMergedOcc 0
36 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 8.30845 12.2861 5.80144 10.0456 5.9143 7.82475 11.9928 10.694 13.9449 numMergedOcc 0
37 mol 100 unq 1 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 8.30845 12.2861 10.0456 5.80144 5.9143 7.82475 10.694 11.9928 13.9449 numMergedOcc 0
38 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 8.30845 12.2861 5.80144 10.0456 5.47563 5.35782 9.94341 9.82522 13.2383 numMergedOcc 0
39 mol 100 unq 2 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 8.30845 12.2861 10.0456 5.80144 5.47563 5.35782 9.82522 9.94341 13.2383 numMergedOcc 0
40 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 8.76378 15.5385 12.3577 4.97045 5.9143 7.82475 11.9928 10.694 10.8812 numMergedOcc 0
41 mol 100 unq 3 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 8.76378 15.5385 4.97045 12.3577 5.9143 7.82475 10.694 11.9928 10.8812 numMergedOcc 0
42 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 8.76378 15.5385 12.3577 4.97045 5.47563 5.35782 9.94341 9.82522 11.4348 numMergedOcc 0
43 mol 100 unq 4 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 8.76378 15.5385 4.97045 12.3577 5.47563 5.35782 9.82522 9.94341 11.4348 numMergedOcc 0
44 mol 100 unq 5 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 8.30845 12.2861 5.80144 6.70236 5.9143 7.82475 11.9928 14.966 13.9449 numMergedOcc 0
45 mol 100 unq 5 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 8.30845 12.2861 6.70236 5.80144 5.9143 7.82475 14.966 11.9928 13.9449 numMergedOcc 0
46 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 8.30845 12.2861 5.80144 6.70236 5.47563 5.35782 9.94341 13.4844 13.2383 numMergedOcc 0
47 mol 100 unq 6 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 8.30845 12.2861 6.70236 5.80144 5.47563 5.35782 13.4844 9.94341 13.2383 numMergedOcc 0
48 mol 100 unq 7 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 8.76378 15.5385 12.3577 10.7791 5.9143 7.82475 11.9928 14.966 10.8812 numMergedOcc 0
49 mol 100 unq 7 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 8.76378 15.5385 10.7791 12.3577 5.9143 7.82475 14.966 11.9928 10.8812 numMergedOcc 0
50 mol 100 unq 8 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 8.76378 15.5385 12.3577 10.7791 5.47563 5.35782 9.94341 13.4844 11.4348 numMergedOcc 0
51 mol 100 unq 8 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 8.76378 15.5385 10.7791 12.3577 5.47563 5.35782 13.4844 9.94341 11.4348 numMergedOcc 0
52 mol 100 unq 5 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 8.30845 12.2861 10.0456 6.70236 5.9143 7.82475 10.694 14.966 13.9449 numMergedOcc 0
53 mol 100 unq 5 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 8.30845 12.2861 6.70236 10.0456 5.9143 7.82475 14.966 10.694 13.9449 numMergedOcc 0
54 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 8.30845 12.2861 10.0456 6.70236 5.47563 5.35782 9.82522 13.4844 13.2383 numMergedOcc 0
55 mol 100 unq 6 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 8.30845 12.2861 6.70236 10.0456 5.47563 5.35782 13.4844 9.82522 13.2383 numMergedOcc 0
56 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 8.76378 15.5385 4.97045 10.7791 5.9143 7.82475 10.694 14.966 10.8812 numMergedOcc 0
57 mol 100 unq 7 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 8.76378 15.5385 10.7791 4.97045 5.9143 7.82475 14.966 10.694 10.8812 numMergedOcc 0
58 mol 100 unq 8 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 8.76378 15.5385 4.97045 10.7791 5.47563 5.35782 9.82522 13.4844 11.4348 numMergedOcc 0
59 mol 100 unq 8 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 8.76378 15.5385 10.7791 4.97045 5.47563 5.35782 13.4844 9.82522 11.4348 numMergedOcc 0
60 mol 100 unq 9 iso 0 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 8.30845 5.80144 12.2861 10.0456 6.23008 8.91882 9.76432 11.5088 6.59691 numMergedOcc 0
61 mol 100 unq 9 iso 1 dist 6.65086 6.56369 7.80879 7.47343 8.8807 12.6515 8.30845 5.80144 10.0456 12.2861 6.23008 8.91882 11.5088 9.76432 6.59691 numMergedOcc 0
62 mol 100 unq 10 iso 0 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 8.76378 12.3577 15.5385 4.97045 6.23008 8.91882 9.76432 11.5088 13.2391 numMergedOcc 0
63 mol 100 unq 10 iso 1 dist 6.65086 6.56369 7.80879 7.47343 8.8807 12.6515 8.76378 12.3577 4.97045 15.5385 6.23008 8.91882 11.5088 9.76432 13.2391 numMergedOcc 0
64 mol 100 unq 11 iso 0 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 8.30845 5.80144 12.2861 6.70236 6.23008 8.91882 9.76432 11.6812 6.59691 numMergedOcc 0
65 mol 100 unq 11 iso 1 dist 6.65086 9.30209 5.38414 7.47343 8.8807 13.887 8.30845 5.80144 6.70236 12.2861 6.23008 8.91882 11.6812 9.76432 6.59691 numMergedOcc 0
66 mol 100 unq 12 iso 0 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 8.76378 12.3577 15.5385 10.7791 6.23008 8.91882 9.76432 11.6812 13.2391 numMergedOcc 0
67 mol 100 unq 12 iso 1 dist 6.65086 9.30209 5.38414 7.47343 8.8807 13.887 8.76378 12.3577 10.7791 15.5385 6.23008 8.91882 11.6812 9.76432 13.2391 numMergedOcc 0
68 mol 100 unq 11 iso 0 dist 6.65086 6.56369 7.80879 9.30209 5.38414 6.39938 8.30845 5.80144 10.0456 6.70236 6.23008 8.91882 11.5088 11.6812 6.59691 numMergedOcc 0
69 mol 100 unq 11 iso 1 dist 6.65086 9.30209 5.38414 6.56369 7.80879 6.39938 8.30845 5.80144 6.70236 10.0456 6.23008 8.91882 11.6812 11.5088 6.59691 numMergedOcc 0
70 mol 100 unq 12 iso 0 dist 6.65086 6.56369 7.80879 9.30209 5.38414 6.39938 8.76378 12.3577 4.97045 10.7791 6.23008 8.91882 11.5088 11.6812 13.2391 numMergedOcc 0
71 mol 100 unq 12 iso 1 dist 6.65086 9.30209 5.38414 6.56369 7.80879 6.39938 8.76378 12.3577 10.7791 4.97045 6.23008 8.91882 11.6812 11.5088 13.2391 numMergedOcc 0
72 mol 131 unq 0 iso 0 dist 8.40312 7.12972 5.55373 6.85062 10.7062 6.63273 9.90168 7.7567 8.23791 13.7237 3.98662 9.27976 10.0551 10.7579 10.0568 numMergedOcc 0
73 mol 131 unq 0 iso 1 dist 8.40312 6.85062 10.7062 7.12972 5.55373 6.63273 9.90168 7.7567 13.7237 8.23791 3.98662 9.27976 10.7579 10.0551 10.0568 numMergedOcc 0
74 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.23142 4.57832 5.29786 5.71679 8.06642 7.21868 7.93372 11.988 9.0176 numMergedOcc 0
75 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 6.23142 4.57832 5.71679 5.29786 8.06642 7.21868 11.988 7.93372 9.0176 numMergedOcc 0
76 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.23142 5.29786 4.57832 5.71679 6.95573 9.33924 13.9752 9.55584 12.2587 numMergedOcc 0
77 mol 134 unq 1 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.23142 5.29786 5.71679 4.57832 6.95573 9.33924 9.55584 13.9752 12.2587 numMergedOcc 0
78 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.23142 5.29786 4.57832 5.71679 8.06642 7.93372 7.21868 11.988 9.0176 numMergedOcc 0
79 mol 134 unq 2 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.23142 5.29786 5.71679 4.57832 8.06642 7.93372 11.988 7.21868 9.0176 numMergedOcc 0
80 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 9.15386 12.1628 5.16002 8.90963 8.91338 9.81073 9.34211 12.9532 9.76212 13.2783 18.2853 17.8171 numMergedOcc 0
81 mol 181 unq 0 iso 1 dist 9.1374 9.15386 12.1628 5.98885 8.88798 5.16002 8.90963 8.91338 9.34211 9.81073 12.9532 9.76212 18.2853 13.2783 17.8171 numMergedOcc 0
82 mol 222 unq 0 iso 0 dist 7.21333 8.01589 13.3522 7.7699 5.24516 10.4579 7.67576 7.75656 10.3151 7.81022 6.84862 5.56538 14.4477 10.0233 8.43195 numMergedOcc 0
83 mol 222 unq 0 iso 1 dist 7.21333 7.7699 5.24516 8.01589 13.3522 10.4579 7.67576 7.75656 7.81022 10.3151 6.84862 5.56538 10.0233 14.4477 8.43195 numMergedOcc 0
84 mol 222 unq 1 iso 0 dist 7.21333 8.01589 13.3522 7.7699 5.24516 10.4579 7.67576 7.75656 10.3151 7.81022 9.53117 7.48954 16.3082 11.839 8.23406 numMergedOcc 0
85 mol 222 unq 1 iso 1 dist 7.21333 7.7699 5.24516 8.01589 13.3522 10.4579 7.67576 7.75656 7.81022 10.3151 9.53117 7.48954 11.839 16.3082 8.23406 numMergedOcc 0
86 mol 222 unq 2 iso 0 dist 7.21333 8.01589 13.3522 7.7699 5.24516 10.4579 9.82371 16.0949 8.52017 15.7504 6.84862 5.56538 14.4477 10.0233 14.0832 numMergedOcc 0
87 mol 222 unq 2 iso 1 dist 7.21333 7.7699 5.24516 8.01589 13.3522 10.4579 9.82371 16.0949 15.7504 8.52017 6.84862 5.56538 10.0233 14.4477 14.0832 numMergedOcc 0
88 mol 222 unq 3 iso 0 dist 7.21333 8.01589 13.3522 7.7699 5.24516 10.4579 9.82371 16.0949 8.52017 15.7504 9.53117 7.48954 16.3082 11.839 14.9425 numMergedOcc 0
89 mol 222 unq 3 iso 1 dist 7.21333 7.7699 5.24516 8.01589 13.3522 10.4579 9.82371 16.0949 15.7504 8.52017 9.53117 7.48954 11.839 16.3082 14.9425 numMergedOcc 0
90 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 7.43071 6.35849 6.00424 10.204 5.0317 5.23634 10.7855 6.91318 9.18728 numMergedOcc 0
91 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 7.43071 6.35849 10.204 6.00424 5.0317 5.23634 6.91318 10.7855 9.18728 numMergedOcc 0
92 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 5.41321 10.9607 10.7656 9.72615 5.0317 5.23634 10.7855 6.91318 8.91971 numMergedOcc 0
93 mol 227 unq 1 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 5.41321 10.9607 9.72615 10.7656 5.0317 5.23634 6.91318 10.7855 8.91971 numMergedOcc 0
94 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 7.43071 6.35849 6.00424 9.76735 5.0317 5.23634 10.7855 11.2661 9.18728 numMergedOcc 0
95 mol 227 unq 2 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 7.43071 6.35849 9.76735 6.00424 5.0317 5.23634 11.2661 10.7855 9.18728 numMergedOcc 0
96 mol 227 unq 3 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 5.41321 10.9607 10.7656 5.10635 5.0317 5.23634 10.7855 11.2661 8.91971 numMergedOcc 0
97 mol 227 unq 3 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 5.41321 10.9607 5.10635 10.7656 5.0317 5.23634 11.2661 10.7855 8.91971 numMergedOcc 0
98 mol 227 unq 4 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 7.43071 6.35849 6.00424 9.32448 5.0317 5.23634 10.7855 12.3663 9.18728 numMergedOcc 0
99 mol 227 unq 4 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 7.43071 6.35849 9.32448 6.00424 5.0317 5.23634 12.3663 10.7855 9.18728 numMergedOcc 0
100 mol 227 unq 5 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 5.41321 10.9607 10.7656 6.48027 5.0317 5.23634 10.7855 12.3663 8.91971 numMergedOcc 0
101 mol 227 unq 5 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 5.41321 10.9607 6.48027 10.7656 5.0317 5.23634 12.3663 10.7855 8.91971 numMergedOcc 0
102 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 7.43071 6.35849 10.204 9.76735 5.0317 5.23634 6.91318 11.2661 9.18728 numMergedOcc 0
103 mol 227 unq 2 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 7.43071 6.35849 9.76735 10.204 5.0317 5.23634 11.2661 6.91318 9.18728 numMergedOcc 0
104 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 5.41321 10.9607 9.72615 5.10635 5.0317 5.23634 6.91318 11.2661 8.91971 numMergedOcc 0
105 mol 227 unq 3 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 5.41321 10.9607 5.10635 9.72615 5.0317 5.23634 11.2661 6.91318 8.91971 numMergedOcc 0
106 mol 227 unq 4 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 7.43071 6.35849 10.204 9.32448 5.0317 5.23634 6.91318 12.3663 9.18728 numMergedOcc 0
107 mol 227 unq 4 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 7.43071 6.35849 9.32448 10.204 5.0317 5.23634 12.3663 6.91318 9.18728 numMergedOcc 0
108 mol 227 unq 5 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 5.41321 10.9607 9.72615 6.48027 5.0317 5.23634 6.91318 12.3663 8.91971 numMergedOcc 0
109 mol 227 unq 5 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 5.41321 10.9607 6.48027 9.72615 5.0317 5.23634 12.3663 6.91318 8.91971 numMergedOcc 0
110 mol 227 unq 4 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 7.43071 6.35849 9.76735 9.32448 5.0317 5.23634 11.2661 12.3663 9.18728 numMergedOcc 0
111 mol 227 unq 4 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 7.43071 6.35849 9.32448 9.76735 5.0317 5.23634 12.3663 11.2661 9.18728 numMergedOcc 0
112 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 5.41321 10.9607 5.10635 6.48027 5.0317 5.23634 11.2661 12.3663 8.91971 numMergedOcc 0
113 mol 227 unq 5 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 5.41321 10.9607 6.48027 5.10635 5.0317 5.23634 12.3663 11.2661 8.91971 numMergedOcc 0
114 mol 227 unq 6 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 7.43071 10.204 6.00424 6.35849 5.0317 6.91318 10.7855 5.23634 9.18728 numMergedOcc 0
115 mol 227 unq 6 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 7.43071 10.204 6.35849 6.00424 5.0317 6.91318 5.23634 10.7855 9.18728 numMergedOcc 0
116 mol 227 unq 7 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 5.41321 9.72615 10.7656 10.9607 5.0317 6.91318 10.7855 5.23634 8.91971 numMergedOcc 0
117 mol 227 unq 7 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 5.41321 9.72615 10.9607 10.7656 5.0317 6.91318 5.23634 10.7855 8.91971 numMergedOcc 0
118 mol 227 unq 8 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 7.43071 10.204 6.00424 9.76735 5.0317 6.91318 10.7855 11.2661 9.18728 numMergedOcc 0
119 mol 227 unq 8 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 7.43071 10.204 9.76735 6.00424 5.0317 6.91318 11.2661 10.7855 9.18728 numMergedOcc 0
120 mol 227 unq 9 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 5.41321 9.72615 10.7656 5.10635 5.0317 6.91318 10.7855 11.2661 8.91971 numMergedOcc 0
121 mol 227 unq 9 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 5.41321 9.72615 5.10635 10.7656 5.0317 6.91318 11.2661 10.7855 8.91971 numMergedOcc 0
122 mol 227 unq 10 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 7.43071 10.204 6.00424 9.32448 5.0317 6.91318 10.7855 12.3663 9.18728 numMergedOcc 0
123 mol 227 unq 10 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 7.43071 10.204 9.32448 6.00424 5.0317 6.91318 12.3663 10.7855 9.18728 numMergedOcc 0
124 mol 227 unq 11 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 5.41321 9.72615 10.7656 6.48027 5.0317 6.91318 10.7855 12.3663 8.91971 numMergedOcc 0
125 mol 227 unq 11 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 5.41321 9.72615 6.48027 10.7656 5.0317 6.91318 12.3663 10.7855 8.91971 numMergedOcc 0
126 mol 227 unq 8 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 7.43071 10.204 6.35849 9.76735 5.0317 6.91318 5.23634 11.2661 9.18728 numMergedOcc 0
127 mol 227 unq 8 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 7.43071 10.204 9.76735 6.35849 5.0317 6.91318 11.2661 5.23634 9.18728 numMergedOcc 0
128 mol 227 unq 9 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 5.41321 9.72615 10.9607 5.10635 5.0317 6.91318 5.23634 11.2661 8.91971 numMergedOcc 0
129 mol 227 unq 9 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 5.41321 9.72615 5.10635 10.9607 5.0317 6.91318 11.2661 5.23634 8.91971 numMergedOcc 0
130 mol 227 unq 10 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 7.43071 10.204 6.35849 9.32448 5.0317 6.91318 5.23634 12.3663 9.18728 numMergedOcc 0
131 mol 227 unq 10 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 7.43071 10.204 9.32448 6.35849 5.0317 6.91318 12.3663 5.23634 9.18728 numMergedOcc 0
132 mol 227 unq 11 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 5.41321 9.72615 10.9607 6.48027 5.0317 6.91318 5.23634 12.3663 8.91971 numMergedOcc 0
133 mol 227 unq 11 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 5.41321 9.72615 6.48027 10.9607 5.0317 6.91318 12.3663 5.23634 8.91971 numMergedOcc 0
134 mol 227 unq 10 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 7.43071 10.204 9.76735 9.32448 5.0317 6.91318 11.2661 12.3663 9.18728 numMergedOcc 0
135 mol 227 unq 10 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 7.43071 10.204 9.32448 9.76735 5.0317 6.91318 12.3663 11.2661 9.18728 numMergedOcc 0
136 mol 227 unq 11 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 5.41321 9.72615 5.10635 6.48027 5.0317 6.91318 11.2661 12.3663 8.91971 numMergedOcc 0
137 mol 227 unq 11 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 5.41321 9.72615 6.48027 5.10635 5.0317 6.91318 12.3663 11.2661 8.91971 numMergedOcc 0
