0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 4.65873 6.57331 8.43054 10.0132 5.01101 6.42835 11.0298 5.94982 6.09368 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.31718 5.05803 6.92781 6.93532 10.4366 5.30082 4.65873 8.43054 6.57331 10.0132 5.01101 11.0298 6.42835 5.94982 6.09368 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 5.11636 7.95042 10.9819 5.80953 14.8647 12.5088 17.9146 6.61696 10.7501 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 8.44664 10.971 5.30734 5.11636 7.95042 10.9819 12.8213 4.79736 12.3058 10.6772 9.98592 8.32593 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 5.11636 7.95042 10.9819 11.7489 14.4081 17.9275 19.8965 9.586 13.4516 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 11.6226 8.09311 16.0162 19.932 9.88364 18.188 10.2862 9.85784 21.0175 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 11.6226 8.09311 16.0162 19.932 9.78753 18.4146 11.825 9.87996 20.7999 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 13.1949 9.05357 16.8554 17.7407 9.88364 18.188 10.2862 9.85784 22.4999 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 13.1949 9.05357 16.8554 17.7407 9.78753 18.4146 11.825 9.87996 21.1787 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 4.82629 6.6219 11.0181 11.3231 10.1698 5.68215 17.003 6.61696 10.512 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 4.82629 6.6219 11.0181 11.3231 13.6174 10.9113 16.707 5.80953 17.051 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 10.1698 5.68215 17.003 6.61696 13.6174 10.9113 16.707 5.80953 10.7501 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 4.82629 6.6219 11.0181 11.3777 5.73029 9.16003 10.502 9.33304 3.4786 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 4.82629 6.6219 11.0181 11.3777 6.28159 10.4135 8.87744 4.5711 8.28473 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 4.82629 6.6219 11.0181 11.3777 5.50396 9.33482 7.27472 4.44526 9.39954 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 10.1698 5.68215 17.003 16.1924 5.73029 9.16003 10.502 9.33304 12.3384 numMergedOcc 0
16 mol 24 unq 14 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 10.1698 5.68215 17.003 16.1924 6.28159 10.4135 8.87744 4.5711 12.6686 numMergedOcc 0
17 mol 24 unq 15 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 10.1698 5.68215 17.003 16.1924 5.50396 9.33482 7.27472 4.44526 11.9756 numMergedOcc 0
18 mol 24 unq 16 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 4.82629 6.6219 11.0181 13.0711 5.50396 9.33482 7.27472 9.586 9.39954 numMergedOcc 0
19 mol 24 unq 17 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 10.1698 5.68215 17.003 15.3807 5.50396 9.33482 7.27472 9.586 11.9756 numMergedOcc 0
20 mol 24 unq 18 iso 0 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 6.28159 8.87744 10.4135 12.3034 10.1698 17.003 5.68215 6.61696 12.6686 numMergedOcc 0
21 mol 24 unq 19 iso 0 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 6.28159 8.87744 10.4135 12.3034 13.6174 16.707 10.9113 5.80953 16.5268 numMergedOcc 0
22 mol 24 unq 20 iso 0 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 5.50396 7.27472 9.33482 9.84204 10.1698 17.003 5.68215 6.61696 11.9756 numMergedOcc 0
23 mol 24 unq 21 iso 0 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 5.50396 7.27472 9.33482 9.84204 13.6174 16.707 10.9113 5.80953 13.4516 numMergedOcc 0
24 mol 24 unq 22 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 6.28159 8.87744 10.4135 4.5711 5.73029 10.502 9.16003 9.33304 6.08292 numMergedOcc 0
25 mol 24 unq 23 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 6.28159 8.87744 10.4135 4.5711 5.50396 7.27472 9.33482 4.44526 3.73215 numMergedOcc 0
26 mol 24 unq 24 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.50396 7.27472 9.33482 4.44526 5.73029 10.502 9.16003 9.33304 8.40153 numMergedOcc 0
27 mol 24 unq 25 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.50396 7.27472 9.33482 4.44526 6.28159 8.87744 10.4135 4.5711 3.73215 numMergedOcc 0
28 mol 24 unq 26 iso 0 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 6.28159 8.87744 10.4135 12.6707 5.50396 7.27472 9.33482 9.586 3.73215 numMergedOcc 0
29 mol 58 unq 0 iso 0 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 9.87158 9.22598 13.3281 9.01564 11.3019 13.813 15.888 7.58739 7.13086 numMergedOcc 0
30 mol 58 unq 1 iso 0 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 9.87158 9.22598 13.3281 9.01564 5.86526 9.55996 11.5155 7.11065 6.20884 numMergedOcc 0
31 mol 58 unq 2 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 9.87158 9.22598 8.96727 9.01564 11.3019 13.813 11.2189 7.58739 7.13086 numMergedOcc 0
32 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 9.87158 9.22598 8.96727 9.01564 5.86526 9.55996 8.01308 7.11065 6.20884 numMergedOcc 0
33 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 9.87158 8.96727 13.3281 9.01564 11.3019 11.2189 15.888 7.58739 7.13086 numMergedOcc 0
34 mol 58 unq 5 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 9.87158 8.96727 13.3281 9.01564 5.86526 8.01308 11.5155 7.11065 6.20884 numMergedOcc 0
35 mol 58 unq 6 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 5.86526 8.01308 11.5155 7.11065 11.3019 11.2189 15.888 7.58739 5.68445 numMergedOcc 0
36 mol 58 unq 7 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 5.86526 8.01308 11.5155 7.11065 9.87158 8.96727 13.3281 9.01564 6.20884 numMergedOcc 0
37 mol 58 unq 8 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 9.87158 8.96727 9.22598 9.01564 11.3019 11.2189 13.813 7.58739 7.13086 numMergedOcc 0
38 mol 58 unq 9 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 9.87158 8.96727 9.22598 9.01564 5.86526 8.01308 9.55996 7.11065 6.20884 numMergedOcc 0
39 mol 58 unq 10 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 5.86526 8.01308 9.55996 7.11065 11.3019 11.2189 13.813 7.58739 5.68445 numMergedOcc 0
40 mol 58 unq 11 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 5.86526 8.01308 9.55996 7.11065 9.87158 8.96727 9.22598 9.01564 6.20884 numMergedOcc 0
41 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 5.69391 9.55118 13.6019 7.58875 5.57624 13.641 14.3084 9.52749 4.86472 numMergedOcc 0
42 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 5.69391 9.55118 13.6019 7.58875 4.03844 12.111 12.4827 6.91169 4.85556 numMergedOcc 0
43 mol 72 unq 2 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 13.4212 9.10345 18.0706 14.0067 5.69391 9.55118 13.6019 7.58875 9.20237 numMergedOcc 0
44 mol 72 unq 3 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 13.4212 9.10345 18.0706 14.0067 5.57624 13.641 14.3084 9.52749 13.5666 numMergedOcc 0
45 mol 72 unq 4 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 13.4212 9.10345 18.0706 14.0067 4.03844 12.111 12.4827 6.91169 13.9899 numMergedOcc 0
46 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 5.70116 9.73086 7.4369 6.14542 6.20232 12.2276 8.68662 8.96616 3.30399 numMergedOcc 0
47 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 5.70116 9.73086 12.8207 6.14542 6.20232 12.2276 13.8931 8.96616 3.30399 numMergedOcc 0
48 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 6.20232 8.68662 12.2276 8.96616 5.70116 7.4369 9.73086 6.14542 3.30399 numMergedOcc 0
49 mol 73 unq 3 iso 0 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 5.70116 7.4369 9.73086 6.14542 6.20232 8.68662 12.2276 8.96616 3.30399 numMergedOcc 0
50 mol 73 unq 4 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 6.20232 8.68662 13.8931 8.96616 5.70116 7.4369 12.8207 6.14542 3.30399 numMergedOcc 0
51 mol 73 unq 5 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 5.70116 7.4369 12.8207 6.14542 6.20232 8.68662 13.8931 8.96616 3.30399 numMergedOcc 0
52 mol 73 unq 6 iso 0 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 11.2069 5.5087 13.3207 14.6027 6.20232 13.8931 12.2276 8.96616 16.3057 numMergedOcc 0
53 mol 73 unq 7 iso 0 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 11.2069 5.5087 13.3207 14.6027 5.70116 12.8207 9.73086 6.14542 14.2015 numMergedOcc 0
54 mol 73 unq 8 iso 0 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 10.6713 6.08682 14.498 13.8591 6.20232 13.8931 12.2276 8.96616 14.162 numMergedOcc 0
55 mol 73 unq 9 iso 0 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 10.6713 6.08682 14.498 13.8591 5.70116 12.8207 9.73086 6.14542 12.1341 numMergedOcc 0
56 mol 73 unq 10 iso 0 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 11.2069 5.5087 13.8368 14.6027 6.20232 13.8931 8.68662 8.96616 16.3057 numMergedOcc 0
57 mol 73 unq 11 iso 0 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 11.2069 5.5087 13.8368 14.6027 5.70116 12.8207 7.4369 6.14542 14.2015 numMergedOcc 0
58 mol 73 unq 12 iso 0 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 10.6713 6.08682 14.5999 13.8591 6.20232 13.8931 8.68662 8.96616 14.162 numMergedOcc 0
59 mol 73 unq 13 iso 0 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 10.6713 6.08682 14.5999 13.8591 5.70116 12.8207 7.4369 6.14542 12.1341 numMergedOcc 0
60 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 3.9764 5.10496 5.92242 4.62494 10.4782 9.81956 10.8223 8.46823 6.70343 numMergedOcc 0
61 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 3.9764 5.10496 5.2571 4.62494 10.4782 9.81956 7.54889 8.46823 6.70343 numMergedOcc 0
62 mol 98 unq 2 iso 0 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 3.9764 5.92242 5.10496 4.62494 10.4782 10.8223 9.81956 8.46823 6.70343 numMergedOcc 0
63 mol 98 unq 3 iso 0 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 7.03983 7.02507 9.89095 9.84743 10.4782 10.8223 9.81956 8.46823 16.1571 numMergedOcc 0
64 mol 98 unq 4 iso 0 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 7.03983 7.02507 9.89095 9.84743 3.9764 5.92242 5.10496 4.62494 9.6331 numMergedOcc 0
65 mol 98 unq 5 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 3.9764 5.92242 5.2571 4.62494 10.4782 10.8223 7.54889 8.46823 6.70343 numMergedOcc 0
66 mol 98 unq 6 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 7.03983 7.02507 12.7417 9.84743 10.4782 10.8223 7.54889 8.46823 16.1571 numMergedOcc 0
67 mol 98 unq 7 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 7.03983 7.02507 12.7417 9.84743 3.9764 5.92242 5.2571 4.62494 9.6331 numMergedOcc 0
68 mol 98 unq 8 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 10.4782 7.54889 9.81956 8.46823 3.9764 5.2571 5.10496 4.62494 6.70343 numMergedOcc 0
69 mol 98 unq 9 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 3.9764 5.2571 5.10496 4.62494 10.4782 7.54889 9.81956 8.46823 6.70343 numMergedOcc 0
70 mol 98 unq 10 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 10.4782 7.54889 10.8223 8.46823 3.9764 5.2571 5.92242 4.62494 6.70343 numMergedOcc 0
71 mol 98 unq 11 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 3.9764 5.2571 5.92242 4.62494 10.4782 7.54889 10.8223 8.46823 6.70343 numMergedOcc 0
72 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 5.9143 7.82475 11.9928 13.9449 6.23008 9.76432 8.91882 6.59691 9.68983 numMergedOcc 0
73 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 5.47563 5.35782 9.94341 13.2383 6.23008 9.76432 8.91882 6.59691 10.2797 numMergedOcc 0
74 mol 100 unq 2 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 5.9143 7.82475 10.694 13.9449 6.23008 9.76432 11.5088 6.59691 9.68983 numMergedOcc 0
75 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 5.47563 5.35782 9.82522 13.2383 6.23008 9.76432 11.5088 6.59691 10.2797 numMergedOcc 0
76 mol 100 unq 4 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.9143 7.82475 14.966 13.9449 6.23008 9.76432 11.6812 6.59691 9.68983 numMergedOcc 0
77 mol 100 unq 5 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.47563 5.35782 13.4844 13.2383 6.23008 9.76432 11.6812 6.59691 10.2797 numMergedOcc 0
78 mol 129 unq 0 iso 0 dist 5.83384 9.61051 9.05135 7.58957 10.5488 5.68211 9.00231 5.58833 14.5521 15.5412 6.28232 11.7541 11.3039 6.34626 14.9816 numMergedOcc 0
79 mol 134 unq 0 iso 0 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 6.95573 9.33924 13.9752 12.2587 8.06642 7.93372 7.21868 9.0176 11.4107 numMergedOcc 0
80 mol 134 unq 1 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 6.95573 9.33924 9.55584 12.2587 8.06642 7.93372 11.988 9.0176 11.4107 numMergedOcc 0
81 mol 134 unq 2 iso 0 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 10.2026 9.33924 13.9752 12.2587 4.00092 7.93372 7.21868 9.0176 11.4107 numMergedOcc 0
82 mol 222 unq 0 iso 0 dist 7.21333 8.01589 13.3522 7.67576 7.75656 10.3151 6.84862 5.56538 14.4477 8.43195 9.53117 7.48954 16.3082 8.23406 3.58181 numMergedOcc 0
83 mol 222 unq 1 iso 0 dist 7.21333 8.01589 13.3522 7.67576 7.75656 10.3151 9.53117 7.48954 16.3082 8.23406 6.84862 5.56538 14.4477 8.43195 3.58181 numMergedOcc 0
84 mol 222 unq 2 iso 0 dist 7.21333 7.7699 5.24516 7.67576 7.75656 7.81022 6.84862 5.56538 10.0233 8.43195 9.53117 7.48954 11.839 8.23406 3.58181 numMergedOcc 0
85 mol 222 unq 3 iso 0 dist 7.21333 7.7699 5.24516 7.67576 7.75656 7.81022 9.53117 7.48954 11.839 8.23406 6.84862 5.56538 10.0233 8.43195 3.58181 numMergedOcc 0
