0 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 5.11636 7.95042 10.9819 8.60554 8.52463 12.3994 5.80953 14.8647 12.5088 17.9146 10.7501 6.61696 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.54419 7.36323 12.3067 4.82629 6.6219 11.0181 11.3566 6.56748 18.1606 9.73647 10.1698 5.68215 17.003 10.512 7.26334 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.54419 7.36323 12.3067 4.82629 6.6219 11.0181 11.3566 6.56748 18.1606 9.73647 15.2259 10.4441 22.4892 13.2892 5.78532 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.54419 7.36323 12.3067 10.1698 5.68215 17.003 11.3566 6.56748 18.1606 7.26334 4.82629 6.6219 11.0181 10.512 9.73647 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 5.54419 7.36323 12.3067 10.1698 5.68215 17.003 11.3566 6.56748 18.1606 7.26334 15.2259 10.4441 22.4892 7.46758 5.78532 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 5.54419 7.36323 12.3067 10.1698 5.68215 17.003 9.83002 4.50066 16.0443 6.19899 15.2259 10.4441 22.4892 7.46758 8.49709 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 5.54419 7.36323 12.3067 10.1698 5.68215 17.003 8.4051 5.11617 13.2229 6.61696 13.6174 10.9113 16.707 10.7501 5.80953 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 7.36323 5.54419 12.3067 6.28159 8.87744 10.4135 8.23446 6.38336 13.1779 4.5711 5.73029 10.502 9.16003 6.08292 9.33304 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 7.36323 5.54419 12.3067 6.28159 8.87744 10.4135 8.23446 6.38336 13.1779 4.5711 5.50396 7.27472 9.33482 3.73215 4.44526 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 7.36323 5.54419 12.3067 5.50396 7.27472 9.33482 8.23446 6.38336 13.1779 4.44526 5.73029 10.502 9.16003 8.40153 9.33304 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 7.36323 5.54419 12.3067 5.50396 7.27472 9.33482 8.23446 6.38336 13.1779 4.44526 6.28159 8.87744 10.4135 3.73215 4.5711 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 6.62496 6.86465 5.30792 9.87158 9.22598 13.3281 8.80614 9.95364 10.2049 9.01564 11.3019 13.813 15.888 7.13086 7.58739 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.62496 6.86465 5.30792 9.87158 9.22598 13.3281 8.80614 9.95364 10.2049 9.01564 5.86526 9.55996 11.5155 6.20884 7.11065 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 6.62496 6.35756 4.81926 9.87158 9.22598 8.96727 8.80614 9.95364 5.49591 9.01564 11.3019 13.813 11.2189 7.13086 7.58739 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 9.87158 9.22598 8.96727 8.80614 9.95364 5.49591 9.01564 5.86526 9.55996 8.01308 6.20884 7.11065 numMergedOcc 0
15 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 9.87158 8.96727 13.3281 8.80614 5.49591 10.2049 9.01564 11.3019 11.2189 15.888 7.13086 7.58739 numMergedOcc 0
16 mol 58 unq 5 iso 0 dist 6.35756 6.86465 5.35073 9.87158 8.96727 13.3281 8.80614 5.49591 10.2049 9.01564 5.86526 8.01308 11.5155 6.20884 7.11065 numMergedOcc 0
17 mol 58 unq 6 iso 0 dist 6.35756 6.86465 5.35073 5.86526 8.01308 11.5155 8.80614 5.49591 10.2049 7.11065 11.3019 11.2189 15.888 5.68445 7.58739 numMergedOcc 0
18 mol 58 unq 7 iso 0 dist 6.35756 6.86465 5.35073 5.86526 8.01308 11.5155 8.80614 5.49591 10.2049 7.11065 9.87158 8.96727 13.3281 6.20884 9.01564 numMergedOcc 0
19 mol 58 unq 8 iso 0 dist 6.35756 6.62496 4.81926 9.87158 8.96727 9.22598 8.80614 5.49591 9.95364 9.01564 11.3019 11.2189 13.813 7.13086 7.58739 numMergedOcc 0
20 mol 58 unq 9 iso 0 dist 6.35756 6.62496 4.81926 9.87158 8.96727 9.22598 8.80614 5.49591 9.95364 9.01564 5.86526 8.01308 9.55996 6.20884 7.11065 numMergedOcc 0
21 mol 58 unq 10 iso 0 dist 6.35756 6.62496 4.81926 5.86526 8.01308 9.55996 8.80614 5.49591 9.95364 7.11065 11.3019 11.2189 13.813 5.68445 7.58739 numMergedOcc 0
22 mol 58 unq 11 iso 0 dist 6.35756 6.62496 4.81926 5.86526 8.01308 9.55996 8.80614 5.49591 9.95364 7.11065 9.87158 8.96727 9.22598 6.20884 9.01564 numMergedOcc 0
23 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 5.69391 9.55118 13.6019 9.27838 11.6378 15.434 7.58875 5.57624 13.641 14.3084 4.86472 9.52749 numMergedOcc 0
24 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 5.69391 9.55118 13.6019 9.27838 11.6378 15.434 7.58875 4.03844 12.111 12.4827 4.85556 6.91169 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 5.70116 9.73086 7.4369 9.24757 5.11416 6.56633 6.14542 6.20232 12.2276 8.68662 3.30399 8.96616 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 5.70116 9.73086 12.8207 9.24757 5.11416 15.3808 6.14542 6.20232 12.2276 13.8931 3.30399 8.96616 numMergedOcc 0
27 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 6.20232 8.68662 12.2276 9.24757 6.56633 5.11416 8.96616 5.70116 7.4369 9.73086 3.30399 6.14542 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 6.19304 9.96396 5.4148 5.70116 7.4369 9.73086 9.24757 6.56633 5.11416 6.14542 6.20232 8.68662 12.2276 3.30399 8.96616 numMergedOcc 0
29 mol 73 unq 4 iso 0 dist 6.19304 8.70481 13.3558 6.20232 8.68662 13.8931 9.24757 6.56633 15.3808 8.96616 5.70116 7.4369 12.8207 3.30399 6.14542 numMergedOcc 0
30 mol 73 unq 5 iso 0 dist 6.19304 8.70481 13.3558 5.70116 7.4369 12.8207 9.24757 6.56633 15.3808 6.14542 6.20232 8.68662 13.8931 3.30399 8.96616 numMergedOcc 0
31 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 4.3481 7.06939 12.4681 9.75237 9.44576 13.9524 6.87506 5.31547 10.9241 9.36001 6.02822 6.59716 numMergedOcc 0
32 mol 92 unq 1 iso 0 dist 9.64443 9.33898 13.1316 5.31547 9.36001 10.9241 9.75237 13.9524 9.44576 6.59716 4.3481 12.4681 7.06939 6.02822 6.87506 numMergedOcc 0
33 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 11.3043 7.94178 15.7178 9.84703 10.4782 9.81956 10.8223 6.70343 9.25444 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 6.65501 4.4057 7.42446 4.62494 10.4782 9.81956 10.8223 6.70343 8.46823 numMergedOcc 0
35 mol 98 unq 2 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 11.3043 7.94178 9.85543 9.84703 10.4782 9.81956 7.54889 6.70343 9.25444 numMergedOcc 0
36 mol 98 unq 3 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 6.65501 4.4057 9.67482 4.62494 10.4782 9.81956 7.54889 6.70343 8.46823 numMergedOcc 0
37 mol 98 unq 4 iso 0 dist 6.48948 5.08437 9.51923 3.9764 5.92242 5.10496 11.3043 15.7178 7.94178 9.84703 10.4782 10.8223 9.81956 6.70343 9.25444 numMergedOcc 0
38 mol 98 unq 5 iso 0 dist 6.48948 5.08437 9.51923 3.9764 5.92242 5.10496 6.65501 7.42446 4.4057 4.62494 10.4782 10.8223 9.81956 6.70343 8.46823 numMergedOcc 0
39 mol 98 unq 6 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 11.3043 15.7178 9.85543 9.84703 10.4782 10.8223 7.54889 6.70343 9.25444 numMergedOcc 0
40 mol 98 unq 7 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 6.65501 7.42446 9.67482 4.62494 10.4782 10.8223 7.54889 6.70343 8.46823 numMergedOcc 0
41 mol 98 unq 8 iso 0 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 6.65501 9.67482 4.4057 8.46823 3.9764 5.2571 5.10496 6.70343 4.62494 numMergedOcc 0
42 mol 98 unq 9 iso 0 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 11.3043 9.85543 7.94178 9.25444 3.9764 5.2571 5.10496 6.70343 9.84703 numMergedOcc 0
43 mol 98 unq 10 iso 0 dist 6.10456 5.08437 8.40073 3.9764 5.2571 5.10496 11.3043 9.85543 7.94178 9.84703 10.4782 7.54889 9.81956 6.70343 9.25444 numMergedOcc 0
44 mol 98 unq 11 iso 0 dist 6.10456 5.08437 8.40073 3.9764 5.2571 5.10496 6.65501 9.67482 4.4057 4.62494 10.4782 7.54889 9.81956 6.70343 8.46823 numMergedOcc 0
45 mol 98 unq 12 iso 0 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 6.65501 9.67482 7.42446 8.46823 3.9764 5.2571 5.92242 6.70343 4.62494 numMergedOcc 0
46 mol 98 unq 13 iso 0 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 11.3043 9.85543 15.7178 9.25444 3.9764 5.2571 5.92242 6.70343 9.84703 numMergedOcc 0
47 mol 98 unq 14 iso 0 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 11.3043 9.85543 15.7178 9.84703 10.4782 7.54889 10.8223 6.70343 9.25444 numMergedOcc 0
48 mol 98 unq 15 iso 0 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 6.65501 9.67482 7.42446 4.62494 10.4782 7.54889 10.8223 6.70343 8.46823 numMergedOcc 0
49 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 4.03277 8.91882 10.5432 9.1361 6.71012 12.5531 6.55173 9.81953 13.2137 15.6594 6.25463 7.81446 numMergedOcc 0
50 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 4.03277 8.91882 11.5088 9.1361 6.71012 13.0596 6.55173 9.81953 13.2137 17.5792 6.25463 7.81446 numMergedOcc 0
51 mol 100 unq 2 iso 0 dist 6.65086 7.47343 8.8807 6.23008 8.91882 9.76432 9.5074 6.71012 10.6245 6.55173 12.0341 13.2137 12.4084 6.25463 7.81446 numMergedOcc 0
52 mol 100 unq 3 iso 0 dist 6.65086 6.56369 7.80879 6.23008 8.91882 11.5088 9.5074 6.71012 13.0596 6.55173 12.0341 13.2137 17.5792 6.25463 7.81446 numMergedOcc 0
53 mol 100 unq 4 iso 0 dist 6.65086 9.30209 5.38414 6.23008 8.91882 11.6812 9.5074 6.71012 9.97598 6.55173 12.0341 13.2137 16.5929 6.25463 7.81446 numMergedOcc 0
54 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 12.9532 9.76212 13.2783 12.4878 4.43096 12.2164 7.35884 11.1802 10.0802 10.9279 3.56877 9.06571 numMergedOcc 0
55 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 12.9532 9.76212 18.2853 12.4878 4.43096 16.0596 7.35884 11.1802 10.0802 16.0559 3.56877 9.06571 numMergedOcc 0
56 mol 222 unq 0 iso 0 dist 7.21333 8.01589 13.3522 6.84862 5.56538 14.4477 7.67576 7.75656 10.3151 8.43195 9.53117 7.48954 16.3082 3.58181 8.23406 numMergedOcc 0
57 mol 222 unq 1 iso 0 dist 7.21333 8.01589 13.3522 9.53117 7.48954 16.3082 7.67576 7.75656 10.3151 8.23406 6.84862 5.56538 14.4477 3.58181 8.43195 numMergedOcc 0
58 mol 222 unq 2 iso 0 dist 7.21333 7.7699 5.24516 6.84862 5.56538 10.0233 7.67576 7.75656 7.81022 8.43195 9.53117 7.48954 11.839 3.58181 8.23406 numMergedOcc 0
59 mol 222 unq 3 iso 0 dist 7.21333 7.7699 5.24516 9.53117 7.48954 11.839 7.67576 7.75656 7.81022 8.23406 6.84862 5.56538 10.0233 3.58181 8.43195 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 6.65832 6.60589 6.77699 5.76843 6.99769 8.79428 10.8507 5.91654 7.38836 9.25617 16.3431 11.6293 11.2517 17.5293 9.46687 numMergedOcc 0
61 mol 224 unq 1 iso 0 dist 6.65832 9.16166 11.328 5.76843 6.99769 6.8692 10.8507 5.91654 10.6079 9.25617 16.3431 11.6293 18.2411 17.5293 9.46687 numMergedOcc 0
62 mol 224 unq 2 iso 0 dist 6.57273 8.95269 4.70378 7.05804 8.79428 13.2325 11.9653 7.38836 11.1545 9.25617 17.7997 11.2517 11.6035 17.5293 9.46687 numMergedOcc 0
63 mol 224 unq 3 iso 0 dist 6.57273 5.78342 8.49799 7.05804 8.79428 6.8692 11.9653 7.38836 10.6079 9.25617 17.7997 11.2517 18.2411 17.5293 9.46687 numMergedOcc 0
64 mol 224 unq 4 iso 0 dist 6.60589 6.65832 6.77699 5.76843 8.79428 6.99769 10.8507 7.38836 5.91654 9.25617 16.3431 11.2517 11.6293 17.5293 9.46687 numMergedOcc 0
65 mol 224 unq 5 iso 0 dist 6.60589 9.16166 8.49799 5.76843 8.79428 6.8692 10.8507 7.38836 10.6079 9.25617 16.3431 11.2517 18.2411 17.5293 9.46687 numMergedOcc 0
66 mol 224 unq 6 iso 0 dist 5.78342 8.95269 11.5372 7.05804 6.8692 13.2325 11.9653 10.6079 11.1545 9.25617 17.7997 18.2411 11.6035 17.5293 9.46687 numMergedOcc 0
67 mol 224 unq 7 iso 0 dist 5.78342 6.57273 8.49799 7.05804 6.8692 8.79428 11.9653 10.6079 7.38836 9.25617 17.7997 18.2411 11.2517 17.5293 9.46687 numMergedOcc 0
68 mol 224 unq 8 iso 0 dist 9.16166 6.65832 11.328 5.76843 6.8692 6.99769 10.8507 10.6079 5.91654 9.25617 16.3431 18.2411 11.6293 17.5293 9.46687 numMergedOcc 0
69 mol 224 unq 9 iso 0 dist 9.16166 6.60589 8.49799 5.76843 6.8692 8.79428 10.8507 10.6079 7.38836 9.25617 16.3431 18.2411 11.2517 17.5293 9.46687 numMergedOcc 0
70 mol 273 unq 0 iso 0 dist 9.01049 6.92774 7.03728 12.2939 9.59325 14.6946 11.6152 4.60101 10.8141 6.35532 16.8173 12.205 18.0933 4.80896 7.85836 numMergedOcc 0
71 mol 273 unq 1 iso 0 dist 9.01049 9.2983 8.05475 12.2939 9.59325 15.4762 11.6152 4.60101 12.2502 6.35532 16.8173 12.205 18.8265 4.80896 7.85836 numMergedOcc 0
