0 mol 24 unq 0 iso 0 dist 9.01567 8.91183 6.19899 13.0212 8.49709 7.46758 11.0194 4.50066 5.68215 10.4441 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.4051 10.1698 6.61696 13.6174 5.80953 10.7501 5.54419 5.11617 5.68215 10.9113 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.4051 13.6174 5.80953 10.1698 6.61696 10.7501 15.5324 8.52463 7.95042 12.5088 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.29868 8.91183 6.61696 5.69214 5.80953 10.7501 11.0194 5.11617 5.68215 10.9113 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 7.29868 5.69214 5.80953 8.91183 6.61696 10.7501 6.86014 8.52463 7.95042 12.5088 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.60554 14.8647 6.61696 5.11636 5.80953 10.7501 13.2433 5.11617 5.68215 10.9113 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 8.60554 5.11636 5.80953 14.8647 6.61696 10.7501 8.86116 8.52463 7.95042 12.5088 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 8.23446 6.28159 4.5711 5.73029 9.33304 6.08292 7.36323 6.38336 8.87744 10.502 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 8.23446 6.28159 4.5711 5.50396 4.44526 3.73215 7.36323 6.38336 8.87744 7.27472 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 8.23446 5.50396 4.44526 5.73029 9.33304 8.40153 7.36323 6.38336 7.27472 10.502 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 8.23446 5.50396 4.44526 6.28159 4.5711 3.73215 7.36323 6.38336 7.27472 8.87744 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 8.87757 4.69295 9.16515 8.79309 9.82987 5.78812 5.04899 5.77929 6.55597 7.07751 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 8.87757 4.69295 9.16515 14.9206 9.40732 12.6527 5.04899 5.77929 6.55597 11.008 numMergedOcc 0
13 mol 25 unq 2 iso 0 dist 8.87757 4.69295 9.16515 13.6145 6.53269 12.1732 5.04899 5.77929 6.55597 9.49421 numMergedOcc 0
14 mol 25 unq 3 iso 0 dist 8.87757 8.79309 9.82987 4.69295 9.16515 5.78812 5.04899 5.77929 7.07751 6.55597 numMergedOcc 0
15 mol 25 unq 4 iso 0 dist 8.87757 8.79309 9.82987 14.9206 9.40732 8.68941 5.04899 5.77929 7.07751 11.008 numMergedOcc 0
16 mol 25 unq 5 iso 0 dist 8.87757 8.79309 9.82987 13.6145 6.53269 9.54872 5.04899 5.77929 7.07751 9.49421 numMergedOcc 0
17 mol 25 unq 6 iso 0 dist 8.87757 13.6145 6.53269 4.69295 9.16515 12.1732 11.9561 6.08585 9.48085 11.037 numMergedOcc 0
18 mol 25 unq 7 iso 0 dist 8.87757 13.6145 6.53269 4.69295 9.16515 12.1732 5.04899 5.77929 9.49421 6.55597 numMergedOcc 0
19 mol 25 unq 8 iso 0 dist 8.87757 13.6145 6.53269 8.79309 9.82987 9.54872 11.9561 6.08585 9.48085 13.0315 numMergedOcc 0
20 mol 25 unq 9 iso 0 dist 8.87757 13.6145 6.53269 8.79309 9.82987 9.54872 5.04899 5.77929 9.49421 7.07751 numMergedOcc 0
21 mol 25 unq 10 iso 0 dist 8.87757 13.6145 6.53269 14.9206 9.40732 3.49276 11.9561 6.08585 9.48085 11.971 numMergedOcc 0
22 mol 25 unq 11 iso 0 dist 8.87757 13.6145 6.53269 14.9206 9.40732 3.49276 5.04899 5.77929 9.49421 11.008 numMergedOcc 0
23 mol 25 unq 12 iso 0 dist 8.50222 13.2447 9.16515 11.8139 9.82987 5.78812 12.7009 5.77929 6.55597 7.07751 numMergedOcc 0
24 mol 25 unq 13 iso 0 dist 8.50222 13.2447 9.16515 6.28979 9.40732 12.6527 12.7009 5.77929 6.55597 11.008 numMergedOcc 0
25 mol 25 unq 14 iso 0 dist 8.50222 13.2447 9.16515 5.18617 6.53269 12.1732 12.7009 5.77929 6.55597 9.49421 numMergedOcc 0
26 mol 25 unq 15 iso 0 dist 8.50222 11.8139 9.82987 13.2447 9.16515 5.78812 12.7009 5.77929 7.07751 6.55597 numMergedOcc 0
27 mol 25 unq 16 iso 0 dist 8.50222 11.8139 9.82987 6.28979 9.40732 8.68941 12.7009 5.77929 7.07751 11.008 numMergedOcc 0
28 mol 25 unq 17 iso 0 dist 8.50222 11.8139 9.82987 5.18617 6.53269 9.54872 12.7009 5.77929 7.07751 9.49421 numMergedOcc 0
29 mol 25 unq 18 iso 0 dist 8.50222 5.18617 6.53269 13.2447 9.16515 12.1732 7.57578 6.08585 9.48085 11.037 numMergedOcc 0
30 mol 25 unq 19 iso 0 dist 8.50222 5.18617 6.53269 13.2447 9.16515 12.1732 12.7009 5.77929 9.49421 6.55597 numMergedOcc 0
31 mol 25 unq 20 iso 0 dist 8.50222 5.18617 6.53269 11.8139 9.82987 9.54872 7.57578 6.08585 9.48085 13.0315 numMergedOcc 0
32 mol 25 unq 21 iso 0 dist 8.50222 5.18617 6.53269 11.8139 9.82987 9.54872 12.7009 5.77929 9.49421 7.07751 numMergedOcc 0
33 mol 25 unq 22 iso 0 dist 8.50222 5.18617 6.53269 6.28979 9.40732 3.49276 7.57578 6.08585 9.48085 11.971 numMergedOcc 0
34 mol 25 unq 23 iso 0 dist 8.50222 5.18617 6.53269 6.28979 9.40732 3.49276 12.7009 5.77929 9.49421 11.008 numMergedOcc 0
35 mol 25 unq 24 iso 0 dist 7.55264 14.9982 9.16515 14.1251 9.82987 5.78812 12.8117 5.77929 6.55597 7.07751 numMergedOcc 0
36 mol 25 unq 25 iso 0 dist 7.55264 14.9982 9.16515 8.41421 9.40732 12.6527 12.8117 5.77929 6.55597 11.008 numMergedOcc 0
37 mol 25 unq 26 iso 0 dist 7.55264 14.9982 9.16515 5.68041 6.53269 12.1732 12.8117 5.77929 6.55597 9.49421 numMergedOcc 0
38 mol 25 unq 27 iso 0 dist 7.55264 14.1251 9.82987 14.9982 9.16515 5.78812 12.8117 5.77929 7.07751 6.55597 numMergedOcc 0
39 mol 25 unq 28 iso 0 dist 7.55264 14.1251 9.82987 8.41421 9.40732 8.68941 12.8117 5.77929 7.07751 11.008 numMergedOcc 0
40 mol 25 unq 29 iso 0 dist 7.55264 14.1251 9.82987 5.68041 6.53269 9.54872 12.8117 5.77929 7.07751 9.49421 numMergedOcc 0
41 mol 25 unq 30 iso 0 dist 7.55264 5.68041 6.53269 14.9982 9.16515 12.1732 7.17969 6.08585 9.48085 11.037 numMergedOcc 0
42 mol 25 unq 31 iso 0 dist 7.55264 5.68041 6.53269 14.9982 9.16515 12.1732 12.8117 5.77929 9.49421 6.55597 numMergedOcc 0
43 mol 25 unq 32 iso 0 dist 7.55264 5.68041 6.53269 14.1251 9.82987 9.54872 7.17969 6.08585 9.48085 13.0315 numMergedOcc 0
44 mol 25 unq 33 iso 0 dist 7.55264 5.68041 6.53269 14.1251 9.82987 9.54872 12.8117 5.77929 9.49421 7.07751 numMergedOcc 0
45 mol 25 unq 34 iso 0 dist 7.55264 5.68041 6.53269 8.41421 9.40732 3.49276 7.17969 6.08585 9.48085 11.971 numMergedOcc 0
46 mol 25 unq 35 iso 0 dist 7.55264 5.68041 6.53269 8.41421 9.40732 3.49276 12.8117 5.77929 9.49421 11.008 numMergedOcc 0
47 mol 58 unq 0 iso 0 dist 8.80614 9.87158 9.01564 11.3019 7.58739 7.13086 6.62496 9.95364 9.22598 13.813 numMergedOcc 0
48 mol 58 unq 1 iso 0 dist 8.80614 9.87158 9.01564 11.3019 7.58739 7.13086 6.35756 5.49591 8.96727 11.2189 numMergedOcc 0
49 mol 58 unq 2 iso 0 dist 8.80614 9.87158 9.01564 5.86526 7.11065 6.20884 6.62496 9.95364 9.22598 9.55996 numMergedOcc 0
50 mol 58 unq 3 iso 0 dist 8.80614 9.87158 9.01564 5.86526 7.11065 6.20884 6.35756 5.49591 8.96727 8.01308 numMergedOcc 0
51 mol 58 unq 4 iso 0 dist 8.80614 5.86526 7.11065 11.3019 7.58739 5.68445 6.35756 5.49591 8.01308 11.2189 numMergedOcc 0
52 mol 58 unq 5 iso 0 dist 8.80614 5.86526 7.11065 9.87158 9.01564 6.20884 6.35756 5.49591 8.01308 8.96727 numMergedOcc 0
53 mol 72 unq 0 iso 0 dist 9.27838 5.69391 7.58875 5.57624 9.52749 4.86472 9.96708 11.6378 9.55118 13.641 numMergedOcc 0
54 mol 72 unq 1 iso 0 dist 9.27838 5.69391 7.58875 4.03844 6.91169 4.85556 9.96708 11.6378 9.55118 12.111 numMergedOcc 0
55 mol 73 unq 0 iso 0 dist 9.24757 6.20232 8.96616 5.70116 6.14542 3.30399 6.19304 6.56633 8.68662 7.4369 numMergedOcc 0
56 mol 73 unq 1 iso 0 dist 9.24757 5.70116 6.14542 6.20232 8.96616 3.30399 9.96396 5.11416 9.73086 12.2276 numMergedOcc 0
57 mol 73 unq 2 iso 0 dist 9.24757 5.70116 6.14542 6.20232 8.96616 3.30399 6.19304 6.56633 7.4369 8.68662 numMergedOcc 0
58 mol 98 unq 0 iso 0 dist 6.65501 10.4782 8.46823 3.9764 4.62494 6.70343 17.4071 16.4267 9.64383 14.0897 numMergedOcc 0
59 mol 98 unq 1 iso 0 dist 6.65501 10.4782 8.46823 3.9764 4.62494 6.70343 6.10456 9.67482 7.54889 5.2571 numMergedOcc 0
60 mol 98 unq 2 iso 0 dist 6.65501 10.4782 8.46823 3.9764 4.62494 6.70343 10.1136 12.0974 7.78931 8.7497 numMergedOcc 0
61 mol 98 unq 3 iso 0 dist 6.65501 3.9764 4.62494 10.4782 8.46823 6.70343 5.08437 4.4057 5.10496 9.81956 numMergedOcc 0
62 mol 98 unq 4 iso 0 dist 6.65501 3.9764 4.62494 10.4782 8.46823 6.70343 6.48948 7.42446 5.92242 10.8223 numMergedOcc 0
63 mol 98 unq 5 iso 0 dist 6.65501 3.9764 4.62494 10.4782 8.46823 6.70343 6.10456 9.67482 5.2571 7.54889 numMergedOcc 0
64 mol 98 unq 6 iso 0 dist 6.65501 3.9764 4.62494 10.4782 8.46823 6.70343 10.1136 12.0974 8.7497 7.78931 numMergedOcc 0
65 mol 181 unq 0 iso 0 dist 6.46704 6.50233 7.35884 6.28125 9.06571 3.56877 8.03334 4.43096 9.76212 10.0802 numMergedOcc 0
66 mol 181 unq 1 iso 0 dist 6.46704 6.50233 7.35884 6.28125 9.06571 3.56877 10.9639 6.06566 8.59874 10.0333 numMergedOcc 0
67 mol 181 unq 2 iso 0 dist 5.9176 10.6474 8.12266 5.12833 9.43306 10.1041 7.63312 5.63555 6.64173 9.55105 numMergedOcc 0
68 mol 181 unq 3 iso 0 dist 5.9176 10.6474 8.12266 4.61184 8.59681 13.0097 7.63312 5.63555 6.64173 11.7785 numMergedOcc 0
69 mol 181 unq 4 iso 0 dist 5.9176 5.12833 9.43306 10.6474 8.12266 10.1041 7.63312 5.63555 9.55105 6.64173 numMergedOcc 0
70 mol 181 unq 5 iso 0 dist 5.9176 5.12833 9.43306 4.61184 8.59681 6.02942 7.63312 5.63555 9.55105 11.7785 numMergedOcc 0
71 mol 181 unq 6 iso 0 dist 9.39829 5.71898 5.99437 5.83796 8.4848 3.55187 7.81386 7.20191 9.01624 9.55105 numMergedOcc 0
72 mol 181 unq 7 iso 0 dist 9.39829 5.71898 5.99437 5.83796 8.4848 3.55187 9.81747 5.48529 5.05973 8.40951 numMergedOcc 0
73 mol 181 unq 8 iso 0 dist 9.39829 5.83796 8.4848 5.71898 5.99437 3.55187 7.81386 7.20191 9.55105 9.01624 numMergedOcc 0
74 mol 181 unq 9 iso 0 dist 6.41453 5.93724 5.99437 5.12833 8.4848 3.55187 7.63312 7.20191 9.01624 9.55105 numMergedOcc 0
75 mol 181 unq 10 iso 0 dist 6.41453 5.93724 5.99437 5.12833 8.4848 3.55187 9.11469 5.48529 5.05973 8.40951 numMergedOcc 0
76 mol 181 unq 11 iso 0 dist 6.41453 5.12833 8.4848 5.93724 5.99437 3.55187 7.63312 7.20191 9.55105 9.01624 numMergedOcc 0
77 mol 222 unq 0 iso 0 dist 7.67576 6.84862 8.43195 9.53117 8.23406 3.58181 7.21333 7.75656 5.56538 7.48954 numMergedOcc 0
78 mol 222 unq 1 iso 0 dist 7.67576 9.53117 8.23406 6.84862 8.43195 3.58181 7.21333 7.75656 7.48954 5.56538 numMergedOcc 0
79 mol 273 unq 0 iso 0 dist 8.83865 8.56043 6.35532 4.24707 7.85836 4.80896 13.3579 4.60101 9.59325 12.205 numMergedOcc 0
80 mol 273 unq 1 iso 0 dist 9.18157 8.81454 6.35532 6.65672 7.85836 4.80896 13.4294 4.60101 9.59325 12.205 numMergedOcc 0
81 mol 274 unq 0 iso 0 dist 7.46394 5.22914 7.77765 14.7507 9.65868 13.5848 12.3938 9.5468 9.30212 6.4611 numMergedOcc 0
82 mol 274 unq 1 iso 0 dist 7.46394 14.7507 9.65868 5.22914 7.77765 13.5848 12.3938 9.5468 6.4611 9.30212 numMergedOcc 0
83 mol 274 unq 2 iso 0 dist 9.45514 12.393 7.77765 8.87855 9.65868 13.5848 10.7806 9.5468 9.30212 6.4611 numMergedOcc 0
84 mol 274 unq 3 iso 0 dist 9.45514 8.87855 9.65868 12.393 7.77765 13.5848 10.7806 9.5468 6.4611 9.30212 numMergedOcc 0
85 mol 274 unq 4 iso 0 dist 8.91672 16.5034 7.77765 12.5615 9.65868 13.5848 16.3286 9.5468 9.30212 6.4611 numMergedOcc 0
86 mol 274 unq 5 iso 0 dist 8.91672 12.5615 9.65868 16.5034 7.77765 13.5848 16.3286 9.5468 6.4611 9.30212 numMergedOcc 0
87 mol 274 unq 6 iso 0 dist 7.1729 10.2884 7.77765 13.0867 9.65868 13.5848 13.5896 9.5468 9.30212 6.4611 numMergedOcc 0
88 mol 274 unq 7 iso 0 dist 7.1729 13.0867 9.65868 10.2884 7.77765 13.5848 13.5896 9.5468 6.4611 9.30212 numMergedOcc 0
