0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 5.01101 6.42835 11.0298 5.94982 4.65873 6.57331 8.43054 10.0132 6.09368 numMergedOcc 0
1 mol 16 unq 0 iso 1 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 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 4.82629 6.6219 11.0181 11.3231 6.28159 10.4135 8.87744 12.3034 8.28473 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 6.28159 8.87744 10.4135 12.3034 4.82629 11.0181 6.6219 11.3231 8.28473 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 4.82629 6.6219 11.0181 11.3231 5.50396 9.33482 7.27472 9.84204 9.39954 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 5.50396 7.27472 9.33482 9.84204 4.82629 11.0181 6.6219 11.3231 9.39954 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 10.1698 5.68215 17.003 6.61696 6.28159 10.4135 8.87744 12.3034 12.6686 numMergedOcc 0
7 mol 24 unq 2 iso 1 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
8 mol 24 unq 3 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 10.1698 5.68215 17.003 6.61696 5.50396 9.33482 7.27472 9.84204 11.9756 numMergedOcc 0
9 mol 24 unq 3 iso 1 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
10 mol 24 unq 4 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
11 mol 24 unq 4 iso 1 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 6.28159 8.87744 10.4135 4.5711 4.82629 11.0181 6.6219 11.3777 8.28473 numMergedOcc 0
12 mol 24 unq 5 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
13 mol 24 unq 5 iso 1 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.50396 7.27472 9.33482 4.44526 4.82629 11.0181 6.6219 11.3777 9.39954 numMergedOcc 0
14 mol 24 unq 6 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
15 mol 24 unq 6 iso 1 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 6.28159 8.87744 10.4135 4.5711 10.1698 17.003 5.68215 16.1924 12.6686 numMergedOcc 0
16 mol 24 unq 7 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
17 mol 24 unq 7 iso 1 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.50396 7.27472 9.33482 4.44526 10.1698 17.003 5.68215 16.1924 11.9756 numMergedOcc 0
18 mol 24 unq 8 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 4.82629 6.6219 11.0181 13.0711 6.28159 10.4135 8.87744 12.6707 8.28473 numMergedOcc 0
19 mol 24 unq 8 iso 1 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 6.28159 8.87744 10.4135 12.6707 4.82629 11.0181 6.6219 13.0711 8.28473 numMergedOcc 0
20 mol 24 unq 9 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
21 mol 24 unq 9 iso 1 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 5.50396 7.27472 9.33482 9.586 4.82629 11.0181 6.6219 13.0711 9.39954 numMergedOcc 0
22 mol 24 unq 10 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 10.1698 5.68215 17.003 15.3807 6.28159 10.4135 8.87744 12.6707 12.6686 numMergedOcc 0
23 mol 24 unq 10 iso 1 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 6.28159 8.87744 10.4135 12.6707 10.1698 17.003 5.68215 15.3807 12.6686 numMergedOcc 0
24 mol 24 unq 11 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
25 mol 24 unq 11 iso 1 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 5.50396 7.27472 9.33482 9.586 10.1698 17.003 5.68215 15.3807 11.9756 numMergedOcc 0
26 mol 58 unq 0 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
27 mol 58 unq 0 iso 1 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
28 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
29 mol 73 unq 0 iso 1 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
30 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 11.2069 13.3207 5.5087 14.6027 14.2015 numMergedOcc 0
31 mol 73 unq 1 iso 1 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
32 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 5.70116 9.73086 12.8207 6.14542 10.6713 14.498 6.08682 13.8591 12.1341 numMergedOcc 0
33 mol 73 unq 2 iso 1 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
34 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 6.20232 8.68662 13.8931 8.96616 11.2069 13.8368 5.5087 14.6027 16.3057 numMergedOcc 0
35 mol 73 unq 1 iso 1 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
36 mol 73 unq 2 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 6.20232 8.68662 13.8931 8.96616 10.6713 14.5999 6.08682 13.8591 14.162 numMergedOcc 0
37 mol 73 unq 2 iso 1 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
38 mol 73 unq 3 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 5.70116 7.4369 12.8207 6.14542 11.2069 13.8368 5.5087 14.6027 14.2015 numMergedOcc 0
39 mol 73 unq 3 iso 1 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
40 mol 73 unq 4 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 5.70116 7.4369 12.8207 6.14542 10.6713 14.5999 6.08682 13.8591 12.1341 numMergedOcc 0
41 mol 73 unq 4 iso 1 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
42 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 8.91313 17.5889 13.3881 4.3481 7.06939 12.4681 12.7637 5.31547 10.9241 9.36001 12.273 6.02822 numMergedOcc 0
43 mol 92 unq 0 iso 1 dist 9.64443 9.33898 13.1316 8.91313 13.3881 17.5889 5.31547 9.36001 10.9241 12.273 4.3481 12.4681 7.06939 12.7637 6.02822 numMergedOcc 0
44 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 8.16392 10.8304 5.90097 4.3481 7.06939 12.4681 11.1106 5.31547 10.9241 9.36001 10.9647 6.02822 numMergedOcc 0
45 mol 92 unq 1 iso 1 dist 9.64443 9.33898 13.1316 8.16392 5.90097 10.8304 5.31547 9.36001 10.9241 10.9647 4.3481 12.4681 7.06939 11.1106 6.02822 numMergedOcc 0
46 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 7.03983 9.89095 7.02507 9.84743 9.6331 numMergedOcc 0
47 mol 98 unq 0 iso 1 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
48 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
49 mol 98 unq 1 iso 1 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
50 mol 98 unq 1 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
51 mol 98 unq 1 iso 1 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
52 mol 98 unq 2 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
53 mol 98 unq 2 iso 1 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 10.4782 7.54889 10.8223 8.46823 7.03983 12.7417 7.02507 9.84743 16.1571 numMergedOcc 0
54 mol 98 unq 3 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
55 mol 98 unq 3 iso 1 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 3.9764 5.2571 5.92242 4.62494 7.03983 12.7417 7.02507 9.84743 9.6331 numMergedOcc 0
56 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
57 mol 100 unq 0 iso 1 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 6.23008 8.91882 9.76432 6.59691 5.9143 11.9928 7.82475 13.9449 9.68983 numMergedOcc 0
58 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
59 mol 100 unq 1 iso 1 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 6.23008 8.91882 9.76432 6.59691 5.47563 9.94341 5.35782 13.2383 10.2797 numMergedOcc 0
60 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 5.9143 7.82475 11.9928 10.8812 6.23008 9.76432 8.91882 13.2391 9.68983 numMergedOcc 0
61 mol 100 unq 2 iso 1 dist 6.65086 7.47343 8.8807 8.76378 12.3577 15.5385 6.23008 8.91882 9.76432 13.2391 5.9143 11.9928 7.82475 10.8812 9.68983 numMergedOcc 0
62 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 5.47563 5.35782 9.94341 11.4348 6.23008 9.76432 8.91882 13.2391 10.2797 numMergedOcc 0
63 mol 100 unq 3 iso 1 dist 6.65086 7.47343 8.8807 8.76378 12.3577 15.5385 6.23008 8.91882 9.76432 13.2391 5.47563 9.94341 5.35782 11.4348 10.2797 numMergedOcc 0
64 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 8.06642 7.21868 7.93372 9.0176 6.95573 13.9752 9.33924 12.2587 11.4107 numMergedOcc 0
65 mol 134 unq 0 iso 1 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
66 mol 134 unq 1 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 4.00092 7.21868 7.93372 9.0176 10.2026 13.9752 9.33924 12.2587 11.4107 numMergedOcc 0
67 mol 134 unq 1 iso 1 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
68 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 9.53265 9.78634 12.8149 15.7529 6.35474 5.64942 6.97962 13.3256 5.9655 numMergedOcc 0
69 mol 192 unq 0 iso 1 dist 7.00794 5.59424 5.76246 8.77999 11.7523 8.49529 6.35474 6.97962 5.64942 13.3256 9.53265 12.8149 9.78634 15.7529 5.9655 numMergedOcc 0
70 mol 192 unq 1 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 9.53265 9.78634 12.8149 15.7529 5.25965 7.43054 6.79229 13.7172 7.70298 numMergedOcc 0
71 mol 192 unq 1 iso 1 dist 7.00794 5.59424 5.76246 8.77999 11.7523 8.49529 5.25965 6.79229 7.43054 13.7172 9.53265 12.8149 9.78634 15.7529 7.70298 numMergedOcc 0
72 mol 192 unq 2 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 6.35474 5.64942 6.97962 13.3256 5.25965 7.43054 6.79229 13.7172 3.60331 numMergedOcc 0
73 mol 192 unq 2 iso 1 dist 7.00794 5.59424 5.76246 8.77999 11.7523 8.49529 5.25965 6.79229 7.43054 13.7172 6.35474 6.97962 5.64942 13.3256 3.60331 numMergedOcc 0
74 mol 192 unq 3 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 5.25965 7.43054 6.79229 13.7172 6.35474 5.64942 6.97962 13.3256 3.60331 numMergedOcc 0
75 mol 192 unq 3 iso 1 dist 7.00794 5.59424 5.76246 8.77999 11.7523 8.49529 6.35474 6.97962 5.64942 13.3256 5.25965 6.79229 7.43054 13.7172 3.60331 numMergedOcc 0
76 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 7.98231 8.41846 8.81835 8.8603 9.07743 7.66153 14.6679 7.20604 12.8229 9.63573 11.547 10.3051 numMergedOcc 0
77 mol 259 unq 0 iso 1 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 7.20604 9.63573 12.8229 11.547 8.8603 7.66153 9.07743 14.6679 10.3051 numMergedOcc 0
