0 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 14.2075 9.37804 14.0374 19.0104 9.02642 numMergedOcc 0
1 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 14.2075 9.37804 19.0104 14.0374 9.02642 numMergedOcc 0
2 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 14.2075 14.0374 9.37804 19.0104 9.02642 numMergedOcc 0
3 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 14.2075 14.0374 19.0104 9.37804 9.02642 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 6.35756 4.81926 5.35073 9.87158 9.22598 13.3281 8.96727 8.80614 9.95364 10.2049 5.49591 9.01564 numMergedOcc 0
5 mol 58 unq 2 iso 1 dist 6.62496 6.35756 4.81926 6.86465 5.30792 5.35073 9.87158 9.22598 8.96727 13.3281 8.80614 9.95364 5.49591 10.2049 9.01564 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 9.87158 8.96727 13.3281 9.22598 8.80614 5.49591 10.2049 9.95364 9.01564 numMergedOcc 0
7 mol 58 unq 3 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 9.87158 8.96727 9.22598 13.3281 8.80614 5.49591 9.95364 10.2049 9.01564 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 5.86526 8.01308 11.5155 9.55996 8.80614 5.49591 10.2049 9.95364 7.11065 numMergedOcc 0
9 mol 58 unq 4 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 5.86526 8.01308 9.55996 11.5155 8.80614 5.49591 9.95364 10.2049 7.11065 numMergedOcc 0
10 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 11.816 9.49968 11.2415 5.94827 6.63448 numMergedOcc 0
11 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 11.816 9.49968 5.94827 11.2415 6.63448 numMergedOcc 0
12 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 11.816 5.94827 11.2415 9.49968 6.63448 numMergedOcc 0
13 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 11.816 5.94827 9.49968 11.2415 6.63448 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 5.70116 9.73086 7.4369 12.8207 9.24757 5.11416 6.56633 15.3808 6.14542 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 5.70116 9.73086 12.8207 7.4369 9.24757 5.11416 15.3808 6.56633 6.14542 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 6.20232 8.68662 12.2276 13.8931 9.24757 6.56633 5.11416 15.3808 8.96616 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 6.20232 8.68662 13.8931 12.2276 9.24757 6.56633 15.3808 5.11416 8.96616 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 5.70116 7.4369 9.73086 12.8207 9.24757 6.56633 5.11416 15.3808 6.14542 numMergedOcc 0
19 mol 73 unq 2 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 5.70116 7.4369 12.8207 9.73086 9.24757 6.56633 15.3808 5.11416 6.14542 numMergedOcc 0
20 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 11.3043 7.94178 15.7178 9.85543 9.84703 numMergedOcc 0
21 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 11.3043 7.94178 9.85543 15.7178 9.84703 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 6.10456 8.40073 9.42358 3.9764 5.10496 5.92242 5.2571 6.65501 4.4057 7.42446 9.67482 4.62494 numMergedOcc 0
23 mol 98 unq 1 iso 1 dist 5.08437 6.10456 8.40073 6.48948 9.51923 9.42358 3.9764 5.10496 5.2571 5.92242 6.65501 4.4057 9.67482 7.42446 4.62494 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 6.48948 5.08437 9.51923 6.10456 9.42358 8.40073 3.9764 5.92242 5.10496 5.2571 11.3043 15.7178 7.94178 9.85543 9.84703 numMergedOcc 0
25 mol 98 unq 2 iso 1 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 3.9764 5.92242 5.2571 5.10496 11.3043 15.7178 9.85543 7.94178 9.84703 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 6.48948 5.08437 9.51923 6.10456 9.42358 8.40073 3.9764 5.92242 5.10496 5.2571 6.65501 7.42446 4.4057 9.67482 4.62494 numMergedOcc 0
27 mol 98 unq 3 iso 1 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 3.9764 5.92242 5.2571 5.10496 6.65501 7.42446 9.67482 4.4057 4.62494 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 10.4782 7.54889 9.81956 10.8223 6.65501 9.67482 4.4057 7.42446 8.46823 numMergedOcc 0
29 mol 98 unq 4 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 10.4782 7.54889 10.8223 9.81956 6.65501 9.67482 7.42446 4.4057 8.46823 numMergedOcc 0
30 mol 98 unq 5 iso 0 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 10.4782 7.54889 9.81956 10.8223 11.3043 9.85543 7.94178 15.7178 9.25444 numMergedOcc 0
31 mol 98 unq 5 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 10.4782 7.54889 10.8223 9.81956 11.3043 9.85543 15.7178 7.94178 9.25444 numMergedOcc 0
32 mol 98 unq 6 iso 0 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 3.9764 5.2571 5.10496 5.92242 11.3043 9.85543 7.94178 15.7178 9.84703 numMergedOcc 0
33 mol 98 unq 6 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 3.9764 5.2571 5.92242 5.10496 11.3043 9.85543 15.7178 7.94178 9.84703 numMergedOcc 0
34 mol 98 unq 7 iso 0 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 3.9764 5.2571 5.10496 5.92242 6.65501 9.67482 4.4057 7.42446 4.62494 numMergedOcc 0
35 mol 98 unq 7 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 3.9764 5.2571 5.92242 5.10496 6.65501 9.67482 7.42446 4.4057 4.62494 numMergedOcc 0
36 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 9.1361 6.71012 12.5531 13.0596 6.55173 numMergedOcc 0
37 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 9.1361 6.71012 13.0596 12.5531 6.55173 numMergedOcc 0
38 mol 100 unq 1 iso 0 dist 9.60661 7.17106 11.5403 9.35224 7.80879 8.87654 4.03277 8.91882 10.5432 11.5088 7.01812 5.80144 8.4128 10.0456 6.59691 numMergedOcc 0
39 mol 100 unq 1 iso 1 dist 9.60661 9.35224 7.80879 7.17106 11.5403 8.87654 4.03277 8.91882 11.5088 10.5432 7.01812 5.80144 10.0456 8.4128 6.59691 numMergedOcc 0
40 mol 100 unq 2 iso 0 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 6.23008 8.91882 9.76432 11.5088 9.5074 6.71012 10.6245 13.0596 6.55173 numMergedOcc 0
41 mol 100 unq 2 iso 1 dist 6.65086 6.56369 7.80879 7.47343 8.8807 12.6515 6.23008 8.91882 11.5088 9.76432 9.5074 6.71012 13.0596 10.6245 6.55173 numMergedOcc 0
42 mol 100 unq 3 iso 0 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 6.23008 8.91882 9.76432 11.5088 8.30845 5.80144 12.2861 10.0456 6.59691 numMergedOcc 0
43 mol 100 unq 3 iso 1 dist 6.65086 6.56369 7.80879 7.47343 8.8807 12.6515 6.23008 8.91882 11.5088 9.76432 8.30845 5.80144 10.0456 12.2861 6.59691 numMergedOcc 0
44 mol 100 unq 4 iso 0 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 6.23008 8.91882 9.76432 11.6812 9.5074 6.71012 10.6245 9.97598 6.55173 numMergedOcc 0
45 mol 100 unq 4 iso 1 dist 6.65086 9.30209 5.38414 7.47343 8.8807 13.887 6.23008 8.91882 11.6812 9.76432 9.5074 6.71012 9.97598 10.6245 6.55173 numMergedOcc 0
46 mol 100 unq 5 iso 0 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 6.23008 8.91882 9.76432 11.6812 8.30845 5.80144 12.2861 6.70236 6.59691 numMergedOcc 0
47 mol 100 unq 5 iso 1 dist 6.65086 9.30209 5.38414 7.47343 8.8807 13.887 6.23008 8.91882 11.6812 9.76432 8.30845 5.80144 6.70236 12.2861 6.59691 numMergedOcc 0
48 mol 100 unq 4 iso 0 dist 6.65086 6.56369 7.80879 9.30209 5.38414 6.39938 6.23008 8.91882 11.5088 11.6812 9.5074 6.71012 13.0596 9.97598 6.55173 numMergedOcc 0
49 mol 100 unq 4 iso 1 dist 6.65086 9.30209 5.38414 6.56369 7.80879 6.39938 6.23008 8.91882 11.6812 11.5088 9.5074 6.71012 9.97598 13.0596 6.55173 numMergedOcc 0
50 mol 100 unq 5 iso 0 dist 6.65086 6.56369 7.80879 9.30209 5.38414 6.39938 6.23008 8.91882 11.5088 11.6812 8.30845 5.80144 10.0456 6.70236 6.59691 numMergedOcc 0
51 mol 100 unq 5 iso 1 dist 6.65086 9.30209 5.38414 6.56369 7.80879 6.39938 6.23008 8.91882 11.6812 11.5088 8.30845 5.80144 6.70236 10.0456 6.59691 numMergedOcc 0
52 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 6.23142 4.57832 5.29786 5.71679 9.0176 numMergedOcc 0
53 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 6.23142 4.57832 5.71679 5.29786 9.0176 numMergedOcc 0
54 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 6.23142 5.29786 4.57832 5.71679 9.0176 numMergedOcc 0
55 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 6.23142 5.29786 5.71679 4.57832 9.0176 numMergedOcc 0
56 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 12.4878 4.43096 12.2164 16.0596 7.35884 numMergedOcc 0
57 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 12.4878 4.43096 16.0596 12.2164 7.35884 numMergedOcc 0
58 mol 222 unq 0 iso 0 dist 7.21333 8.01589 13.3522 7.7699 5.24516 10.4579 6.84862 5.56538 14.4477 10.0233 7.67576 7.75656 10.3151 7.81022 8.43195 numMergedOcc 0
59 mol 222 unq 0 iso 1 dist 7.21333 7.7699 5.24516 8.01589 13.3522 10.4579 6.84862 5.56538 10.0233 14.4477 7.67576 7.75656 7.81022 10.3151 8.43195 numMergedOcc 0
60 mol 222 unq 1 iso 0 dist 7.21333 8.01589 13.3522 7.7699 5.24516 10.4579 9.53117 7.48954 16.3082 11.839 7.67576 7.75656 10.3151 7.81022 8.23406 numMergedOcc 0
61 mol 222 unq 1 iso 1 dist 7.21333 7.7699 5.24516 8.01589 13.3522 10.4579 9.53117 7.48954 11.839 16.3082 7.67576 7.75656 7.81022 10.3151 8.23406 numMergedOcc 0
62 mol 224 unq 0 iso 0 dist 6.65832 6.60589 6.77699 9.16166 11.328 8.49799 5.76843 6.99769 8.79428 6.8692 10.8507 5.91654 7.38836 10.6079 9.25617 numMergedOcc 0
63 mol 224 unq 0 iso 1 dist 6.65832 9.16166 11.328 6.60589 6.77699 8.49799 5.76843 6.99769 6.8692 8.79428 10.8507 5.91654 10.6079 7.38836 9.25617 numMergedOcc 0
64 mol 224 unq 1 iso 0 dist 6.65832 6.60589 6.77699 9.16166 11.328 8.49799 5.76843 6.99769 8.79428 6.8692 13.4196 9.14278 12.4832 11.5752 9.05276 numMergedOcc 0
65 mol 224 unq 1 iso 1 dist 6.65832 9.16166 11.328 6.60589 6.77699 8.49799 5.76843 6.99769 6.8692 8.79428 13.4196 9.14278 11.5752 12.4832 9.05276 numMergedOcc 0
66 mol 224 unq 2 iso 0 dist 6.57273 8.95269 4.70378 5.78342 8.49799 11.5372 7.05804 8.79428 13.2325 6.8692 11.9653 7.38836 11.1545 10.6079 9.25617 numMergedOcc 0
67 mol 224 unq 2 iso 1 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 7.05804 8.79428 6.8692 13.2325 11.9653 7.38836 10.6079 11.1545 9.25617 numMergedOcc 0
68 mol 224 unq 3 iso 0 dist 6.57273 8.95269 4.70378 5.78342 8.49799 11.5372 7.05804 8.79428 13.2325 6.8692 14.5387 12.4832 16.8238 11.5752 9.05276 numMergedOcc 0
69 mol 224 unq 3 iso 1 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 7.05804 8.79428 6.8692 13.2325 14.5387 12.4832 11.5752 16.8238 9.05276 numMergedOcc 0
70 mol 224 unq 4 iso 0 dist 6.60589 6.65832 6.77699 9.16166 8.49799 11.328 5.76843 8.79428 6.99769 6.8692 10.8507 7.38836 5.91654 10.6079 9.25617 numMergedOcc 0
71 mol 224 unq 4 iso 1 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 5.76843 8.79428 6.8692 6.99769 10.8507 7.38836 10.6079 5.91654 9.25617 numMergedOcc 0
72 mol 224 unq 5 iso 0 dist 6.60589 6.65832 6.77699 9.16166 8.49799 11.328 5.76843 8.79428 6.99769 6.8692 13.4196 12.4832 9.14278 11.5752 9.05276 numMergedOcc 0
73 mol 224 unq 5 iso 1 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 5.76843 8.79428 6.8692 6.99769 13.4196 12.4832 11.5752 9.14278 9.05276 numMergedOcc 0
74 mol 224 unq 6 iso 0 dist 5.78342 8.95269 11.5372 6.57273 8.49799 4.70378 7.05804 6.8692 13.2325 8.79428 11.9653 10.6079 11.1545 7.38836 9.25617 numMergedOcc 0
75 mol 224 unq 6 iso 1 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 7.05804 6.8692 8.79428 13.2325 11.9653 10.6079 7.38836 11.1545 9.25617 numMergedOcc 0
76 mol 224 unq 7 iso 0 dist 5.78342 8.95269 11.5372 6.57273 8.49799 4.70378 7.05804 6.8692 13.2325 8.79428 14.5387 11.5752 16.8238 12.4832 9.05276 numMergedOcc 0
77 mol 224 unq 7 iso 1 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 7.05804 6.8692 8.79428 13.2325 14.5387 11.5752 12.4832 16.8238 9.05276 numMergedOcc 0
78 mol 224 unq 8 iso 0 dist 9.16166 6.65832 11.328 6.60589 8.49799 6.77699 5.76843 6.8692 6.99769 8.79428 10.8507 10.6079 5.91654 7.38836 9.25617 numMergedOcc 0
79 mol 224 unq 8 iso 1 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 5.76843 6.8692 8.79428 6.99769 10.8507 10.6079 7.38836 5.91654 9.25617 numMergedOcc 0
80 mol 224 unq 9 iso 0 dist 9.16166 6.65832 11.328 6.60589 8.49799 6.77699 5.76843 6.8692 6.99769 8.79428 13.4196 11.5752 9.14278 12.4832 9.05276 numMergedOcc 0
81 mol 224 unq 9 iso 1 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 5.76843 6.8692 8.79428 6.99769 13.4196 11.5752 12.4832 9.14278 9.05276 numMergedOcc 0
82 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 5.0317 5.23634 10.7855 6.91318 7.43071 6.35849 6.00424 10.204 9.18728 numMergedOcc 0
83 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 5.0317 5.23634 6.91318 10.7855 7.43071 6.35849 10.204 6.00424 9.18728 numMergedOcc 0
84 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 5.0317 5.23634 10.7855 6.91318 5.41321 10.9607 10.7656 9.72615 8.91971 numMergedOcc 0
85 mol 227 unq 1 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 5.0317 5.23634 6.91318 10.7855 5.41321 10.9607 9.72615 10.7656 8.91971 numMergedOcc 0
86 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 5.0317 5.23634 10.7855 11.2661 7.43071 6.35849 6.00424 9.76735 9.18728 numMergedOcc 0
87 mol 227 unq 2 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 5.0317 5.23634 11.2661 10.7855 7.43071 6.35849 9.76735 6.00424 9.18728 numMergedOcc 0
88 mol 227 unq 3 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 5.0317 5.23634 10.7855 11.2661 5.41321 10.9607 10.7656 5.10635 8.91971 numMergedOcc 0
89 mol 227 unq 3 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 5.0317 5.23634 11.2661 10.7855 5.41321 10.9607 5.10635 10.7656 8.91971 numMergedOcc 0
90 mol 227 unq 4 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 5.0317 5.23634 10.7855 12.3663 7.43071 6.35849 6.00424 9.32448 9.18728 numMergedOcc 0
91 mol 227 unq 4 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 5.0317 5.23634 12.3663 10.7855 7.43071 6.35849 9.32448 6.00424 9.18728 numMergedOcc 0
92 mol 227 unq 5 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 5.0317 5.23634 10.7855 12.3663 5.41321 10.9607 10.7656 6.48027 8.91971 numMergedOcc 0
93 mol 227 unq 5 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 5.0317 5.23634 12.3663 10.7855 5.41321 10.9607 6.48027 10.7656 8.91971 numMergedOcc 0
94 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 5.0317 5.23634 6.91318 11.2661 7.43071 6.35849 10.204 9.76735 9.18728 numMergedOcc 0
95 mol 227 unq 2 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 5.0317 5.23634 11.2661 6.91318 7.43071 6.35849 9.76735 10.204 9.18728 numMergedOcc 0
96 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 5.0317 5.23634 6.91318 11.2661 5.41321 10.9607 9.72615 5.10635 8.91971 numMergedOcc 0
97 mol 227 unq 3 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 5.0317 5.23634 11.2661 6.91318 5.41321 10.9607 5.10635 9.72615 8.91971 numMergedOcc 0
98 mol 227 unq 4 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 5.0317 5.23634 6.91318 12.3663 7.43071 6.35849 10.204 9.32448 9.18728 numMergedOcc 0
99 mol 227 unq 4 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 5.0317 5.23634 12.3663 6.91318 7.43071 6.35849 9.32448 10.204 9.18728 numMergedOcc 0
100 mol 227 unq 5 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 5.0317 5.23634 6.91318 12.3663 5.41321 10.9607 9.72615 6.48027 8.91971 numMergedOcc 0
101 mol 227 unq 5 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 5.0317 5.23634 12.3663 6.91318 5.41321 10.9607 6.48027 9.72615 8.91971 numMergedOcc 0
102 mol 227 unq 4 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 5.0317 5.23634 11.2661 12.3663 7.43071 6.35849 9.76735 9.32448 9.18728 numMergedOcc 0
103 mol 227 unq 4 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 5.0317 5.23634 12.3663 11.2661 7.43071 6.35849 9.32448 9.76735 9.18728 numMergedOcc 0
104 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 5.0317 5.23634 11.2661 12.3663 5.41321 10.9607 5.10635 6.48027 8.91971 numMergedOcc 0
105 mol 227 unq 5 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 5.0317 5.23634 12.3663 11.2661 5.41321 10.9607 6.48027 5.10635 8.91971 numMergedOcc 0
106 mol 227 unq 6 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 5.0317 6.91318 10.7855 5.23634 7.43071 10.204 6.00424 6.35849 9.18728 numMergedOcc 0
107 mol 227 unq 6 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 5.0317 6.91318 5.23634 10.7855 7.43071 10.204 6.35849 6.00424 9.18728 numMergedOcc 0
108 mol 227 unq 7 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 5.0317 6.91318 10.7855 5.23634 5.41321 9.72615 10.7656 10.9607 8.91971 numMergedOcc 0
109 mol 227 unq 7 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 5.0317 6.91318 5.23634 10.7855 5.41321 9.72615 10.9607 10.7656 8.91971 numMergedOcc 0
110 mol 227 unq 8 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 5.0317 6.91318 10.7855 11.2661 7.43071 10.204 6.00424 9.76735 9.18728 numMergedOcc 0
111 mol 227 unq 8 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 5.0317 6.91318 11.2661 10.7855 7.43071 10.204 9.76735 6.00424 9.18728 numMergedOcc 0
112 mol 227 unq 9 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 5.0317 6.91318 10.7855 11.2661 5.41321 9.72615 10.7656 5.10635 8.91971 numMergedOcc 0
113 mol 227 unq 9 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 5.0317 6.91318 11.2661 10.7855 5.41321 9.72615 5.10635 10.7656 8.91971 numMergedOcc 0
114 mol 227 unq 10 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 5.0317 6.91318 10.7855 12.3663 7.43071 10.204 6.00424 9.32448 9.18728 numMergedOcc 0
115 mol 227 unq 10 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 5.0317 6.91318 12.3663 10.7855 7.43071 10.204 9.32448 6.00424 9.18728 numMergedOcc 0
116 mol 227 unq 11 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 5.0317 6.91318 10.7855 12.3663 5.41321 9.72615 10.7656 6.48027 8.91971 numMergedOcc 0
117 mol 227 unq 11 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 5.0317 6.91318 12.3663 10.7855 5.41321 9.72615 6.48027 10.7656 8.91971 numMergedOcc 0
118 mol 227 unq 8 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 5.0317 6.91318 5.23634 11.2661 7.43071 10.204 6.35849 9.76735 9.18728 numMergedOcc 0
119 mol 227 unq 8 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 5.0317 6.91318 11.2661 5.23634 7.43071 10.204 9.76735 6.35849 9.18728 numMergedOcc 0
120 mol 227 unq 9 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 5.0317 6.91318 5.23634 11.2661 5.41321 9.72615 10.9607 5.10635 8.91971 numMergedOcc 0
121 mol 227 unq 9 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 5.0317 6.91318 11.2661 5.23634 5.41321 9.72615 5.10635 10.9607 8.91971 numMergedOcc 0
122 mol 227 unq 10 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 5.0317 6.91318 5.23634 12.3663 7.43071 10.204 6.35849 9.32448 9.18728 numMergedOcc 0
123 mol 227 unq 10 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 5.0317 6.91318 12.3663 5.23634 7.43071 10.204 9.32448 6.35849 9.18728 numMergedOcc 0
124 mol 227 unq 11 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 5.0317 6.91318 5.23634 12.3663 5.41321 9.72615 10.9607 6.48027 8.91971 numMergedOcc 0
125 mol 227 unq 11 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 5.0317 6.91318 12.3663 5.23634 5.41321 9.72615 6.48027 10.9607 8.91971 numMergedOcc 0
126 mol 227 unq 10 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 5.0317 6.91318 11.2661 12.3663 7.43071 10.204 9.76735 9.32448 9.18728 numMergedOcc 0
127 mol 227 unq 10 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 5.0317 6.91318 12.3663 11.2661 7.43071 10.204 9.32448 9.76735 9.18728 numMergedOcc 0
128 mol 227 unq 11 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 5.0317 6.91318 11.2661 12.3663 5.41321 9.72615 5.10635 6.48027 8.91971 numMergedOcc 0
129 mol 227 unq 11 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 5.0317 6.91318 12.3663 11.2661 5.41321 9.72615 6.48027 5.10635 8.91971 numMergedOcc 0
130 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 9.2288 11.7918 8.41807 7.40852 7.15764 13.1298 10.5687 11.0831 6.35641 19.1145 16.9237 8.09509 numMergedOcc 0
131 mol 252 unq 0 iso 1 dist 7.19638 9.2288 11.7918 8.33025 14.9102 8.41807 7.40852 7.15764 10.5687 13.1298 11.0831 6.35641 16.9237 19.1145 8.09509 numMergedOcc 0
132 mol 273 unq 0 iso 0 dist 9.01049 6.92774 7.03728 9.2983 8.05475 8.55278 12.2939 9.59325 14.6946 15.4762 11.6152 4.60101 10.8141 12.2502 6.35532 numMergedOcc 0
133 mol 273 unq 0 iso 1 dist 9.01049 9.2983 8.05475 6.92774 7.03728 8.55278 12.2939 9.59325 15.4762 14.6946 11.6152 4.60101 12.2502 10.8141 6.35532 numMergedOcc 0
