0 mol 58 unq 0 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 9.87158 8.96727 13.3281 9.22598 5.86526 8.01308 11.5155 9.55996 6.20884 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 5.86526 8.01308 11.5155 9.55996 9.87158 8.96727 13.3281 9.22598 6.20884 numMergedOcc 0
2 mol 58 unq 0 iso 2 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 9.87158 8.96727 9.22598 13.3281 5.86526 8.01308 9.55996 11.5155 6.20884 numMergedOcc 0
3 mol 58 unq 0 iso 3 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
4 mol 73 unq 0 iso 0 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
5 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 5.70116 7.4369 9.73086 12.8207 6.20232 8.68662 12.2276 13.8931 3.30399 numMergedOcc 0
6 mol 73 unq 0 iso 2 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 6.20232 8.68662 13.8931 12.2276 5.70116 7.4369 12.8207 9.73086 3.30399 numMergedOcc 0
7 mol 73 unq 0 iso 3 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 5.70116 7.4369 12.8207 9.73086 6.20232 8.68662 13.8931 12.2276 3.30399 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 11.2069 5.5087 13.3207 13.8368 10.6713 6.08682 14.498 14.5999 5.30471 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 10.6713 6.08682 14.498 14.5999 11.2069 5.5087 13.3207 13.8368 5.30471 numMergedOcc 0
10 mol 73 unq 1 iso 2 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 11.2069 5.5087 13.8368 13.3207 10.6713 6.08682 14.5999 14.498 5.30471 numMergedOcc 0
11 mol 73 unq 1 iso 3 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 10.6713 6.08682 14.5999 14.498 11.2069 5.5087 13.8368 13.3207 5.30471 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 11.3215 9.3948 19.7448 19.9408 5.06946 9.74607 11.97 13.5721 8.00584 numMergedOcc 0
13 mol 95 unq 0 iso 1 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 5.06946 9.74607 11.97 13.5721 11.3215 9.3948 19.7448 19.9408 8.00584 numMergedOcc 0
14 mol 95 unq 0 iso 2 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 11.3215 9.3948 19.9408 19.7448 5.06946 9.74607 13.5721 11.97 8.00584 numMergedOcc 0
15 mol 95 unq 0 iso 3 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 5.06946 9.74607 13.5721 11.97 11.3215 9.3948 19.9408 19.7448 8.00584 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 6.48948 5.08437 9.51923 6.10456 9.42358 8.40073 3.9764 5.92242 5.10496 5.2571 7.03983 7.02507 9.89095 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 0 iso 2 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 3.9764 5.92242 5.2571 5.10496 7.03983 7.02507 12.7417 9.89095 9.6331 numMergedOcc 0
19 mol 98 unq 0 iso 3 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
20 mol 98 unq 1 iso 0 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
21 mol 98 unq 1 iso 1 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 3.9764 5.2571 5.10496 5.92242 10.4782 7.54889 9.81956 10.8223 6.70343 numMergedOcc 0
22 mol 98 unq 1 iso 2 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
23 mol 98 unq 1 iso 3 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 3.9764 5.2571 5.92242 5.10496 10.4782 7.54889 10.8223 9.81956 6.70343 numMergedOcc 0
24 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 5.47563 5.35782 9.94341 9.82522 3.5565 numMergedOcc 0
25 mol 100 unq 0 iso 1 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.47563 5.35782 9.94341 9.82522 5.9143 7.82475 11.9928 10.694 3.5565 numMergedOcc 0
26 mol 100 unq 0 iso 2 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 5.9143 7.82475 10.694 11.9928 5.47563 5.35782 9.82522 9.94341 3.5565 numMergedOcc 0
27 mol 100 unq 0 iso 3 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 5.47563 5.35782 9.82522 9.94341 5.9143 7.82475 10.694 11.9928 3.5565 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.9143 7.82475 11.9928 14.966 5.47563 5.35782 9.94341 13.4844 3.5565 numMergedOcc 0
29 mol 100 unq 1 iso 1 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.47563 5.35782 9.94341 13.4844 5.9143 7.82475 11.9928 14.966 3.5565 numMergedOcc 0
30 mol 100 unq 1 iso 2 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 5.9143 7.82475 14.966 11.9928 5.47563 5.35782 13.4844 9.94341 3.5565 numMergedOcc 0
31 mol 100 unq 1 iso 3 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 5.47563 5.35782 13.4844 9.94341 5.9143 7.82475 14.966 11.9928 3.5565 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 5.9143 7.82475 10.694 14.966 5.47563 5.35782 9.82522 13.4844 3.5565 numMergedOcc 0
33 mol 100 unq 1 iso 1 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 5.47563 5.35782 9.82522 13.4844 5.9143 7.82475 10.694 14.966 3.5565 numMergedOcc 0
34 mol 100 unq 1 iso 2 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 5.9143 7.82475 14.966 10.694 5.47563 5.35782 13.4844 9.82522 3.5565 numMergedOcc 0
35 mol 100 unq 1 iso 3 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 5.47563 5.35782 13.4844 9.82522 5.9143 7.82475 14.966 10.694 3.5565 numMergedOcc 0
36 mol 109 unq 0 iso 0 dist 7.34473 8.58044 7 9.97763 8.40993 6.94915 6.73011 6.29161 11.0751 13.6787 13.0886 7.86666 14.3511 15.7916 7.49425 numMergedOcc 0
37 mol 109 unq 0 iso 1 dist 7.34473 8.58044 7 9.97763 8.40993 6.94915 13.0886 7.86666 14.3511 15.7916 6.73011 6.29161 11.0751 13.6787 7.49425 numMergedOcc 0
38 mol 109 unq 0 iso 2 dist 7.34473 9.97763 8.40993 8.58044 7 6.94915 6.73011 6.29161 13.6787 11.0751 13.0886 7.86666 15.7916 14.3511 7.49425 numMergedOcc 0
39 mol 109 unq 0 iso 3 dist 7.34473 9.97763 8.40993 8.58044 7 6.94915 13.0886 7.86666 15.7916 14.3511 6.73011 6.29161 13.6787 11.0751 7.49425 numMergedOcc 0
40 mol 134 unq 0 iso 0 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
41 mol 134 unq 0 iso 1 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 8.06642 7.93372 7.21868 11.988 6.95573 9.33924 13.9752 9.55584 11.4107 numMergedOcc 0
42 mol 134 unq 0 iso 2 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.95573 9.33924 9.55584 13.9752 8.06642 7.93372 11.988 7.21868 11.4107 numMergedOcc 0
43 mol 134 unq 0 iso 3 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 8.06642 7.93372 11.988 7.21868 6.95573 9.33924 9.55584 13.9752 11.4107 numMergedOcc 0
44 mol 152 unq 0 iso 0 dist 8.56324 6.70283 7.65448 7.16148 10.6875 5.49936 5.39112 6.59889 6.70693 10.4895 4.84714 8.9192 9.27706 11.6735 3.55572 numMergedOcc 0
45 mol 152 unq 0 iso 1 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
46 mol 152 unq 0 iso 2 dist 8.56324 7.16148 10.6875 6.70283 7.65448 5.49936 5.39112 6.59889 10.4895 6.70693 4.84714 8.9192 11.6735 9.27706 3.55572 numMergedOcc 0
47 mol 152 unq 0 iso 3 dist 8.56324 7.16148 10.6875 6.70283 7.65448 5.49936 4.84714 8.9192 11.6735 9.27706 5.39112 6.59889 10.4895 6.70693 3.55572 numMergedOcc 0
48 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 9.53117 7.48954 16.3082 11.839 3.58181 numMergedOcc 0
49 mol 222 unq 0 iso 1 dist 7.21333 8.01589 13.3522 7.7699 5.24516 10.4579 9.53117 7.48954 16.3082 11.839 6.84862 5.56538 14.4477 10.0233 3.58181 numMergedOcc 0
50 mol 222 unq 0 iso 2 dist 7.21333 7.7699 5.24516 8.01589 13.3522 10.4579 6.84862 5.56538 10.0233 14.4477 9.53117 7.48954 11.839 16.3082 3.58181 numMergedOcc 0
51 mol 222 unq 0 iso 3 dist 7.21333 7.7699 5.24516 8.01589 13.3522 10.4579 9.53117 7.48954 11.839 16.3082 6.84862 5.56538 10.0233 14.4477 3.58181 numMergedOcc 0
52 mol 259 unq 0 iso 0 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
53 mol 259 unq 0 iso 1 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 11.6988 6.95511 9.46361 12.8903 10.067 5.85442 10.3406 12.8546 3.51848 numMergedOcc 0
54 mol 259 unq 0 iso 2 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 10.067 5.85442 12.8546 10.3406 11.6988 6.95511 12.8903 9.46361 3.51848 numMergedOcc 0
55 mol 259 unq 0 iso 3 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 11.6988 6.95511 12.8903 9.46361 10.067 5.85442 12.8546 10.3406 3.51848 numMergedOcc 0
56 mol 259 unq 1 iso 0 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
57 mol 259 unq 1 iso 1 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 11.6988 6.95511 9.46361 17.104 10.067 5.85442 10.3406 16.0301 3.51848 numMergedOcc 0
58 mol 259 unq 1 iso 2 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 10.067 5.85442 16.0301 10.3406 11.6988 6.95511 17.104 9.46361 3.51848 numMergedOcc 0
59 mol 259 unq 1 iso 3 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 11.6988 6.95511 17.104 9.46361 10.067 5.85442 16.0301 10.3406 3.51848 numMergedOcc 0
60 mol 259 unq 1 iso 0 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 10.067 5.85442 12.8546 16.0301 11.6988 6.95511 12.8903 17.104 3.51848 numMergedOcc 0
61 mol 259 unq 1 iso 1 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 11.6988 6.95511 12.8903 17.104 10.067 5.85442 12.8546 16.0301 3.51848 numMergedOcc 0
62 mol 259 unq 1 iso 2 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 10.067 5.85442 16.0301 12.8546 11.6988 6.95511 17.104 12.8903 3.51848 numMergedOcc 0
63 mol 259 unq 1 iso 3 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 11.6988 6.95511 17.104 12.8903 10.067 5.85442 16.0301 12.8546 3.51848 numMergedOcc 0
