0 mol 58 unq 0 iso 0 dist 6.62496 6.35756 4.81926 6.86465 5.30792 5.35073 9.87158 9.22598 8.96727 13.3281 5.86526 9.55996 8.01308 11.5155 6.20884 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 5.86526 8.01308 9.55996 11.5155 9.87158 8.96727 9.22598 13.3281 6.20884 numMergedOcc 0
2 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 6.20232 12.2276 8.68662 13.8931 3.30399 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 6.20232 8.68662 12.2276 13.8931 5.70116 7.4369 9.73086 12.8207 3.30399 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 5.70116 9.73086 12.8207 7.4369 11.2069 13.3207 5.5087 13.8368 14.2015 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 11.2069 5.5087 13.3207 13.8368 5.70116 12.8207 9.73086 7.4369 14.2015 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 5.70116 9.73086 12.8207 7.4369 10.6713 14.498 6.08682 14.5999 12.1341 numMergedOcc 0
7 mol 73 unq 2 iso 1 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 10.6713 6.08682 14.498 14.5999 5.70116 12.8207 9.73086 7.4369 12.1341 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 6.20232 8.68662 13.8931 12.2276 11.2069 13.8368 5.5087 13.3207 16.3057 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 11.2069 5.5087 13.8368 13.3207 6.20232 13.8931 8.68662 12.2276 16.3057 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 6.20232 8.68662 13.8931 12.2276 10.6713 14.5999 6.08682 14.498 14.162 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 10.6713 6.08682 14.5999 14.498 6.20232 13.8931 8.68662 12.2276 14.162 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 5.70116 7.4369 12.8207 9.73086 11.2069 13.8368 5.5087 13.3207 14.2015 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 11.2069 5.5087 13.8368 13.3207 5.70116 12.8207 7.4369 9.73086 14.2015 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 5.70116 7.4369 12.8207 9.73086 10.6713 14.5999 6.08682 14.498 12.1341 numMergedOcc 0
15 mol 73 unq 4 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 10.6713 6.08682 14.5999 14.498 5.70116 12.8207 7.4369 9.73086 12.1341 numMergedOcc 0
16 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 7.03983 9.89095 7.02507 12.7417 9.6331 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 6.10456 9.42358 8.40073 7.03983 7.02507 9.89095 12.7417 3.9764 5.92242 5.10496 5.2571 9.6331 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 6.48948 9.51923 9.42358 3.9764 5.10496 5.2571 5.92242 10.4782 9.81956 7.54889 10.8223 6.70343 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 10.4782 7.54889 9.81956 10.8223 3.9764 5.2571 5.10496 5.92242 6.70343 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 3.9764 5.92242 5.2571 5.10496 10.4782 10.8223 7.54889 9.81956 6.70343 numMergedOcc 0
21 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 10.4782 7.54889 10.8223 9.81956 3.9764 5.2571 5.92242 5.10496 6.70343 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 7.03983 7.02507 12.7417 9.89095 10.4782 10.8223 7.54889 9.81956 16.1571 numMergedOcc 0
23 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 7.03983 12.7417 7.02507 9.89095 16.1571 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 7.03983 7.02507 12.7417 9.89095 3.9764 5.92242 5.2571 5.10496 9.6331 numMergedOcc 0
25 mol 98 unq 3 iso 1 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 3.9764 5.2571 5.92242 5.10496 7.03983 12.7417 7.02507 9.89095 9.6331 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.9143 7.82475 11.9928 10.694 6.23008 9.76432 8.91882 11.5088 9.68983 numMergedOcc 0
27 mol 100 unq 0 iso 1 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 6.23008 8.91882 9.76432 11.5088 5.9143 11.9928 7.82475 10.694 9.68983 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.47563 5.35782 9.94341 9.82522 6.23008 9.76432 8.91882 11.5088 10.2797 numMergedOcc 0
29 mol 100 unq 1 iso 1 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 6.23008 8.91882 9.76432 11.5088 5.47563 9.94341 5.35782 9.82522 10.2797 numMergedOcc 0
30 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.9143 7.82475 11.9928 14.966 6.23008 9.76432 8.91882 11.6812 9.68983 numMergedOcc 0
31 mol 100 unq 2 iso 1 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 6.23008 8.91882 9.76432 11.6812 5.9143 11.9928 7.82475 14.966 9.68983 numMergedOcc 0
32 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.47563 5.35782 9.94341 13.4844 6.23008 9.76432 8.91882 11.6812 10.2797 numMergedOcc 0
33 mol 100 unq 3 iso 1 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 6.23008 8.91882 9.76432 11.6812 5.47563 9.94341 5.35782 13.4844 10.2797 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 7.88312 11.5723 8.02349 5.03039 6.04595 10.5599 11.8378 6.01673 13.22 6.24825 10.0255 9.74247 numMergedOcc 0
35 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 6.01673 6.24825 13.22 10.0255 5.03039 10.5599 6.04595 11.8378 9.74247 numMergedOcc 0
36 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 7.0603 9.3584 7.21564 10.5783 6.10127 11.6387 14.762 3.55765 10.4223 8.19331 8.85711 12.4037 numMergedOcc 0
37 mol 117 unq 0 iso 1 dist 7.83136 7.90328 7.22206 7.0603 7.21564 9.3584 3.55765 8.19331 10.4223 8.85711 10.5783 11.6387 6.10127 14.762 12.4037 numMergedOcc 0
38 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 7.83136 7.22206 7.21564 10.5783 6.10127 14.762 11.6387 3.55765 10.4223 8.85711 8.19331 12.4037 numMergedOcc 0
39 mol 117 unq 1 iso 1 dist 7.0603 7.90328 9.3584 7.83136 7.21564 7.22206 3.55765 8.85711 10.4223 8.19331 10.5783 14.762 6.10127 11.6387 12.4037 numMergedOcc 0
40 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 6.95573 13.9752 9.33924 9.55584 11.4107 numMergedOcc 0
41 mol 134 unq 0 iso 1 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.95573 9.33924 13.9752 9.55584 8.06642 7.93372 7.21868 11.988 11.4107 numMergedOcc 0
42 mol 152 unq 0 iso 0 dist 8.56324 6.70283 7.65448 7.16148 10.6875 5.49936 4.84714 8.9192 9.27706 11.6735 5.39112 6.59889 6.70693 10.4895 3.55572 numMergedOcc 0
43 mol 152 unq 0 iso 1 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 5.39112 6.70693 6.59889 10.4895 4.84714 9.27706 8.9192 11.6735 3.55572 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 11.6988 9.46361 6.95511 12.8903 10.067 10.3406 5.85442 12.8546 3.51848 numMergedOcc 0
45 mol 259 unq 0 iso 1 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 10.067 5.85442 10.3406 12.8546 11.6988 6.95511 9.46361 12.8903 3.51848 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 11.6988 9.46361 6.95511 17.104 10.067 10.3406 5.85442 16.0301 3.51848 numMergedOcc 0
47 mol 259 unq 1 iso 1 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 10.067 5.85442 10.3406 16.0301 11.6988 6.95511 9.46361 17.104 3.51848 numMergedOcc 0
48 mol 273 unq 0 iso 0 dist 6.92774 9.01049 7.03728 9.2983 8.55278 8.05475 5.75897 9.21786 13.2256 14.5307 12.2939 14.6946 9.59325 15.4762 15.3217 numMergedOcc 0
49 mol 273 unq 0 iso 1 dist 9.01049 6.92774 7.03728 9.2983 8.05475 8.55278 12.2939 9.59325 14.6946 15.4762 5.75897 13.2256 9.21786 14.5307 15.3217 numMergedOcc 0
