0 mol 21 unq 0 iso 0 dist 5.93898 10.6971 6.28263 9.84542 5.3862 5.63735 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.95042 8.52463 5.80953 12.5088 10.7501 6.61696 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.6219 6.56748 9.73647 5.68215 10.512 7.26334 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.6219 6.56748 9.73647 10.4441 13.2892 5.78532 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 5.68215 6.56748 7.26334 6.6219 10.512 9.73647 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 5.68215 6.56748 7.26334 10.4441 7.46758 5.78532 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 5.68215 4.50066 6.19899 10.4441 7.46758 8.49709 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 5.68215 5.11617 6.61696 10.9113 10.7501 5.80953 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 8.87744 6.38336 4.5711 10.502 6.08292 9.33304 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 8.87744 6.38336 4.5711 7.27472 3.73215 4.44526 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 7.27472 6.38336 4.44526 10.502 8.40153 9.33304 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 7.27472 6.38336 4.44526 8.87744 3.73215 4.5711 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 6.55597 5.77929 9.16515 7.07751 5.78812 9.82987 numMergedOcc 0
13 mol 25 unq 1 iso 0 dist 6.55597 5.77929 9.16515 11.008 12.6527 9.40732 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 6.55597 5.77929 9.16515 9.49421 12.1732 6.53269 numMergedOcc 0
15 mol 25 unq 3 iso 0 dist 7.07751 5.77929 9.82987 6.55597 5.78812 9.16515 numMergedOcc 0
16 mol 25 unq 4 iso 0 dist 7.07751 5.77929 9.82987 11.008 8.68941 9.40732 numMergedOcc 0
17 mol 25 unq 5 iso 0 dist 7.07751 5.77929 9.82987 9.49421 9.54872 6.53269 numMergedOcc 0
18 mol 25 unq 6 iso 0 dist 9.48085 6.08585 6.53269 11.037 12.1732 9.16515 numMergedOcc 0
19 mol 25 unq 7 iso 0 dist 9.48085 6.08585 6.53269 13.0315 9.54872 9.82987 numMergedOcc 0
20 mol 25 unq 8 iso 0 dist 9.48085 6.08585 6.53269 11.971 3.49276 9.40732 numMergedOcc 0
21 mol 25 unq 9 iso 0 dist 9.49421 5.77929 6.53269 6.55597 12.1732 9.16515 numMergedOcc 0
22 mol 25 unq 10 iso 0 dist 9.49421 5.77929 6.53269 7.07751 9.54872 9.82987 numMergedOcc 0
23 mol 25 unq 11 iso 0 dist 9.49421 5.77929 6.53269 11.008 3.49276 9.40732 numMergedOcc 0
24 mol 58 unq 0 iso 0 dist 9.22598 9.95364 9.01564 13.813 7.13086 7.58739 numMergedOcc 0
25 mol 58 unq 1 iso 0 dist 9.22598 9.95364 9.01564 9.55996 6.20884 7.11065 numMergedOcc 0
26 mol 58 unq 2 iso 0 dist 8.96727 5.49591 9.01564 11.2189 7.13086 7.58739 numMergedOcc 0
27 mol 58 unq 3 iso 0 dist 8.96727 5.49591 9.01564 8.01308 6.20884 7.11065 numMergedOcc 0
28 mol 58 unq 4 iso 0 dist 8.01308 5.49591 7.11065 11.2189 5.68445 7.58739 numMergedOcc 0
29 mol 58 unq 5 iso 0 dist 8.01308 5.49591 7.11065 8.96727 6.20884 9.01564 numMergedOcc 0
30 mol 72 unq 0 iso 0 dist 9.55118 11.6378 7.58875 13.641 4.86472 9.52749 numMergedOcc 0
31 mol 72 unq 1 iso 0 dist 9.55118 11.6378 7.58875 12.111 4.85556 6.91169 numMergedOcc 0
32 mol 73 unq 0 iso 0 dist 8.68662 6.56633 8.96616 7.4369 3.30399 6.14542 numMergedOcc 0
33 mol 73 unq 1 iso 0 dist 9.73086 5.11416 6.14542 12.2276 3.30399 8.96616 numMergedOcc 0
34 mol 73 unq 2 iso 0 dist 7.4369 6.56633 6.14542 8.68662 3.30399 8.96616 numMergedOcc 0
35 mol 92 unq 0 iso 0 dist 7.06939 9.44576 6.87506 10.9241 6.02822 6.59716 numMergedOcc 0
36 mol 92 unq 1 iso 0 dist 9.36001 13.9524 6.59716 12.4681 6.02822 6.87506 numMergedOcc 0
37 mol 98 unq 0 iso 0 dist 5.10496 7.94178 9.84703 9.81956 6.70343 9.25444 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 5.10496 4.4057 4.62494 9.81956 6.70343 8.46823 numMergedOcc 0
39 mol 98 unq 2 iso 0 dist 9.64383 18.5442 9.25444 14.0897 6.70343 9.84703 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 9.64383 16.4267 8.46823 14.0897 6.70343 4.62494 numMergedOcc 0
41 mol 98 unq 4 iso 0 dist 5.92242 15.7178 9.84703 10.8223 6.70343 9.25444 numMergedOcc 0
42 mol 98 unq 5 iso 0 dist 5.92242 7.42446 4.62494 10.8223 6.70343 8.46823 numMergedOcc 0
43 mol 98 unq 6 iso 0 dist 7.54889 9.85543 9.25444 5.2571 6.70343 9.84703 numMergedOcc 0
44 mol 98 unq 7 iso 0 dist 7.54889 9.67482 8.46823 5.2571 6.70343 4.62494 numMergedOcc 0
45 mol 98 unq 8 iso 0 dist 5.2571 9.85543 9.84703 7.54889 6.70343 9.25444 numMergedOcc 0
46 mol 98 unq 9 iso 0 dist 5.2571 9.67482 4.62494 7.54889 6.70343 8.46823 numMergedOcc 0
47 mol 98 unq 10 iso 0 dist 7.78931 7.28361 9.25444 8.7497 6.70343 9.84703 numMergedOcc 0
48 mol 98 unq 11 iso 0 dist 7.78931 12.0974 8.46823 8.7497 6.70343 4.62494 numMergedOcc 0
49 mol 98 unq 12 iso 0 dist 8.7497 7.28361 9.84703 7.78931 6.70343 9.25444 numMergedOcc 0
50 mol 98 unq 13 iso 0 dist 8.7497 12.0974 4.62494 7.78931 6.70343 8.46823 numMergedOcc 0
51 mol 100 unq 0 iso 0 dist 9.90751 6.12107 7.81446 9.21662 6.25463 6.55173 numMergedOcc 0
52 mol 100 unq 1 iso 0 dist 8.91882 6.71012 6.55173 13.2137 6.25463 7.81446 numMergedOcc 0
53 mol 100 unq 2 iso 0 dist 9.21662 6.12107 6.55173 9.90751 6.25463 7.81446 numMergedOcc 0
54 mol 112 unq 0 iso 0 dist 9.05166 5.76986 8.72725 5.56994 5.11 6.11407 numMergedOcc 0
55 mol 112 unq 1 iso 0 dist 5.56994 5.76986 6.11407 9.05166 5.11 8.72725 numMergedOcc 0
56 mol 168 unq 0 iso 0 dist 6.02086 12.9045 9.42807 19.0785 13.6611 9.85438 numMergedOcc 0
57 mol 181 unq 0 iso 0 dist 9.76212 4.43096 7.35884 10.0802 3.56877 9.06571 numMergedOcc 0
58 mol 181 unq 1 iso 0 dist 8.59874 6.06566 7.35884 10.0333 3.56877 9.06571 numMergedOcc 0
59 mol 181 unq 2 iso 0 dist 6.64173 5.63555 8.12266 9.55105 10.1041 9.43306 numMergedOcc 0
60 mol 181 unq 3 iso 0 dist 6.64173 5.63555 8.12266 11.7785 13.0097 8.59681 numMergedOcc 0
61 mol 181 unq 4 iso 0 dist 9.01624 7.20191 5.99437 9.55105 3.55187 8.4848 numMergedOcc 0
62 mol 181 unq 5 iso 0 dist 9.55105 5.63555 9.43306 6.64173 10.1041 8.12266 numMergedOcc 0
63 mol 181 unq 6 iso 0 dist 9.55105 5.63555 9.43306 11.7785 6.02942 8.59681 numMergedOcc 0
64 mol 181 unq 7 iso 0 dist 9.55105 7.20191 8.4848 9.01624 3.55187 5.99437 numMergedOcc 0
65 mol 181 unq 8 iso 0 dist 5.05973 5.48529 5.99437 8.40951 3.55187 8.4848 numMergedOcc 0
66 mol 186 unq 0 iso 0 dist 7.2793 10.5063 6.88127 14.3269 8.40937 6.56416 numMergedOcc 0
67 mol 222 unq 0 iso 0 dist 5.56538 7.75656 8.43195 7.48954 3.58181 8.23406 numMergedOcc 0
68 mol 222 unq 1 iso 0 dist 7.48954 7.75656 8.23406 5.56538 3.58181 8.43195 numMergedOcc 0
69 mol 224 unq 0 iso 0 dist 6.99769 5.91654 9.25617 11.6293 17.5293 9.46687 numMergedOcc 0
70 mol 224 unq 1 iso 0 dist 8.79428 7.38836 9.25617 11.2517 17.5293 9.46687 numMergedOcc 0
71 mol 224 unq 2 iso 0 dist 6.8692 10.6079 9.25617 18.2411 17.5293 9.46687 numMergedOcc 0
72 mol 273 unq 0 iso 0 dist 9.59325 4.60101 6.35532 12.205 4.80896 7.85836 numMergedOcc 0
73 mol 274 unq 0 iso 0 dist 9.30212 9.5468 7.77765 6.4611 13.5848 9.65868 numMergedOcc 0
74 mol 274 unq 1 iso 0 dist 6.4611 9.5468 9.65868 9.30212 13.5848 7.77765 numMergedOcc 0
