0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 5.01101 6.42835 11.0298 4.65873 6.57331 8.43054 6.09368 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 6.31718 5.05803 6.92781 4.65873 8.43054 6.57331 5.01101 11.0298 6.42835 6.09368 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.54419 7.36323 12.3067 4.82629 6.6219 11.0181 6.28159 10.4135 8.87744 8.28473 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 7.36323 5.54419 12.3067 6.28159 8.87744 10.4135 4.82629 11.0181 6.6219 8.28473 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.54419 7.36323 12.3067 4.82629 6.6219 11.0181 5.50396 9.33482 7.27472 9.39954 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 7.36323 5.54419 12.3067 5.50396 7.27472 9.33482 4.82629 11.0181 6.6219 9.39954 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.54419 7.36323 12.3067 10.1698 5.68215 17.003 6.28159 10.4135 8.87744 12.6686 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 7.36323 5.54419 12.3067 6.28159 8.87744 10.4135 10.1698 17.003 5.68215 12.6686 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 5.54419 7.36323 12.3067 10.1698 5.68215 17.003 5.50396 9.33482 7.27472 11.9756 numMergedOcc 0
9 mol 24 unq 3 iso 1 dist 7.36323 5.54419 12.3067 5.50396 7.27472 9.33482 10.1698 17.003 5.68215 11.9756 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.62496 6.35756 4.81926 9.87158 9.22598 8.96727 5.86526 9.55996 8.01308 6.20884 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 6.35756 6.62496 4.81926 5.86526 8.01308 9.55996 9.87158 8.96727 9.22598 6.20884 numMergedOcc 0
12 mol 60 unq 0 iso 0 dist 6.65595 8.90863 6.54743 7.80499 7.57295 7.48086 8.27828 12.544 9.95132 8.42811 numMergedOcc 0
13 mol 60 unq 0 iso 1 dist 8.90863 6.65595 6.54743 8.27828 9.95132 12.544 7.80499 7.48086 7.57295 8.42811 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.47371 7.12321 6.21799 9.67587 9.35457 5.03251 3.43675 numMergedOcc 0
15 mol 72 unq 0 iso 1 dist 9.78528 9.96708 8.24309 9.67587 5.03251 9.35457 7.47371 6.21799 7.12321 3.43675 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 7.47371 7.12321 6.21799 7.07356 12.1131 7.66093 5.75711 numMergedOcc 0
17 mol 72 unq 1 iso 1 dist 9.78528 9.96708 8.24309 7.07356 7.66093 12.1131 7.47371 6.21799 7.12321 5.75711 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 5.70116 9.73086 7.4369 6.20232 12.2276 8.68662 3.30399 numMergedOcc 0
19 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 6.20232 8.68662 12.2276 5.70116 7.4369 9.73086 3.30399 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 5.70116 9.73086 12.8207 11.2069 13.3207 5.5087 14.2015 numMergedOcc 0
21 mol 73 unq 1 iso 1 dist 8.70481 9.96396 14.9342 11.2069 5.5087 13.3207 5.70116 12.8207 9.73086 14.2015 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 5.70116 9.73086 12.8207 10.6713 14.498 6.08682 12.1341 numMergedOcc 0
23 mol 73 unq 2 iso 1 dist 8.70481 9.96396 14.9342 10.6713 6.08682 14.498 5.70116 12.8207 9.73086 12.1341 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 6.20232 8.68662 13.8931 11.2069 13.8368 5.5087 16.3057 numMergedOcc 0
25 mol 73 unq 1 iso 1 dist 8.70481 6.19304 13.3558 11.2069 5.5087 13.8368 6.20232 13.8931 8.68662 16.3057 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 6.19304 8.70481 13.3558 6.20232 8.68662 13.8931 10.6713 14.5999 6.08682 14.162 numMergedOcc 0
27 mol 73 unq 2 iso 1 dist 8.70481 6.19304 13.3558 10.6713 6.08682 14.5999 6.20232 13.8931 8.68662 14.162 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 6.19304 8.70481 13.3558 5.70116 7.4369 12.8207 11.2069 13.8368 5.5087 14.2015 numMergedOcc 0
29 mol 73 unq 3 iso 1 dist 8.70481 6.19304 13.3558 11.2069 5.5087 13.8368 5.70116 12.8207 7.4369 14.2015 numMergedOcc 0
30 mol 73 unq 4 iso 0 dist 6.19304 8.70481 13.3558 5.70116 7.4369 12.8207 10.6713 14.5999 6.08682 12.1341 numMergedOcc 0
31 mol 73 unq 4 iso 1 dist 8.70481 6.19304 13.3558 10.6713 6.08682 14.5999 5.70116 12.8207 7.4369 12.1341 numMergedOcc 0
32 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 4.3481 7.06939 12.4681 5.31547 10.9241 9.36001 6.02822 numMergedOcc 0
33 mol 92 unq 0 iso 1 dist 9.64443 9.33898 13.1316 5.31547 9.36001 10.9241 4.3481 12.4681 7.06939 6.02822 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 7.03983 9.89095 7.02507 9.6331 numMergedOcc 0
35 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 7.03983 7.02507 9.89095 3.9764 5.92242 5.10496 9.6331 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 10.4782 9.81956 7.54889 6.70343 numMergedOcc 0
37 mol 98 unq 1 iso 1 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 3.9764 5.2571 5.10496 6.70343 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 10.4782 10.8223 7.54889 6.70343 numMergedOcc 0
39 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 3.9764 5.2571 5.92242 6.70343 numMergedOcc 0
40 mol 98 unq 2 iso 0 dist 6.48948 6.10456 9.42358 7.03983 7.02507 12.7417 10.4782 10.8223 7.54889 16.1571 numMergedOcc 0
41 mol 98 unq 2 iso 1 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 7.03983 12.7417 7.02507 16.1571 numMergedOcc 0
42 mol 98 unq 3 iso 0 dist 6.48948 6.10456 9.42358 7.03983 7.02507 12.7417 3.9764 5.92242 5.2571 9.6331 numMergedOcc 0
43 mol 98 unq 3 iso 1 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 7.03983 12.7417 7.02507 9.6331 numMergedOcc 0
44 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 5.9143 7.82475 11.9928 6.23008 9.76432 8.91882 9.68983 numMergedOcc 0
45 mol 100 unq 0 iso 1 dist 6.65086 7.47343 8.8807 6.23008 8.91882 9.76432 5.9143 11.9928 7.82475 9.68983 numMergedOcc 0
46 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 5.47563 5.35782 9.94341 6.23008 9.76432 8.91882 10.2797 numMergedOcc 0
47 mol 100 unq 1 iso 1 dist 6.65086 7.47343 8.8807 6.23008 8.91882 9.76432 5.47563 9.94341 5.35782 10.2797 numMergedOcc 0
48 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 5.03039 6.04595 10.5599 6.01673 13.22 6.24825 9.74247 numMergedOcc 0
49 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 6.01673 6.24825 13.22 5.03039 10.5599 6.04595 9.74247 numMergedOcc 0
50 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 6.63111 6.39384 9.42082 4.48636 13.4105 7.69765 11.044 numMergedOcc 0
51 mol 115 unq 1 iso 1 dist 5.83991 9.33865 7.69052 4.48636 7.69765 13.4105 6.63111 9.42082 6.39384 11.044 numMergedOcc 0
52 mol 115 unq 2 iso 0 dist 6.11741 7.88312 7.69052 6.07067 6.39384 9.42082 11.835 13.4105 7.69765 11.044 numMergedOcc 0
53 mol 115 unq 2 iso 1 dist 7.88312 6.11741 7.69052 11.835 7.69765 13.4105 6.07067 9.42082 6.39384 11.044 numMergedOcc 0
54 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 10.5783 6.10127 11.6387 3.55765 10.4223 8.19331 12.4037 numMergedOcc 0
55 mol 117 unq 0 iso 1 dist 7.83136 7.90328 7.22206 3.55765 8.19331 10.4223 10.5783 11.6387 6.10127 12.4037 numMergedOcc 0
56 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 10.5783 6.10127 14.762 3.55765 10.4223 8.85711 12.4037 numMergedOcc 0
57 mol 117 unq 1 iso 1 dist 7.0603 7.90328 9.3584 3.55765 8.85711 10.4223 10.5783 14.762 6.10127 12.4037 numMergedOcc 0
58 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.41373 9.33094 8.69531 12.8086 11.0808 9.1998 5.83782 numMergedOcc 0
59 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 12.8086 9.1998 11.0808 7.41373 8.69531 9.33094 5.83782 numMergedOcc 0
60 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 8.06642 7.21868 7.93372 6.95573 13.9752 9.33924 11.4107 numMergedOcc 0
61 mol 134 unq 1 iso 1 dist 6.37586 8.94367 5.49782 6.95573 9.33924 13.9752 8.06642 7.93372 7.21868 11.4107 numMergedOcc 0
62 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 10.8635 9.33094 8.69531 15.0225 11.0808 9.1998 5.83782 numMergedOcc 0
63 mol 134 unq 2 iso 1 dist 9.71307 6.37586 6.81259 15.0225 9.1998 11.0808 10.8635 8.69531 9.33094 5.83782 numMergedOcc 0
64 mol 134 unq 1 iso 0 dist 9.86662 9.71307 5.49782 4.00092 7.21868 7.93372 10.2026 13.9752 9.33924 11.4107 numMergedOcc 0
65 mol 134 unq 1 iso 1 dist 9.71307 9.86662 5.49782 10.2026 9.33924 13.9752 4.00092 7.93372 7.21868 11.4107 numMergedOcc 0
66 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 13.5913 7.18002 10.7696 4.67662 7.81207 6.14151 13.4681 numMergedOcc 0
67 mol 142 unq 0 iso 1 dist 5.31024 9.2313 5.32922 4.67662 6.14151 7.81207 13.5913 10.7696 7.18002 13.4681 numMergedOcc 0
68 mol 142 unq 1 iso 0 dist 7.73169 7.26382 5.32922 9.99555 7.18002 10.7696 5.81599 7.81207 6.14151 13.4681 numMergedOcc 0
69 mol 142 unq 1 iso 1 dist 7.26382 7.73169 5.32922 5.81599 6.14151 7.81207 9.99555 10.7696 7.18002 13.4681 numMergedOcc 0
70 mol 152 unq 0 iso 0 dist 8.56324 6.70283 7.65448 4.84714 8.9192 9.27706 5.39112 6.59889 6.70693 3.55572 numMergedOcc 0
71 mol 152 unq 0 iso 1 dist 6.70283 8.56324 7.65448 5.39112 6.70693 6.59889 4.84714 9.27706 8.9192 3.55572 numMergedOcc 0
72 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 9.53265 9.78634 12.8149 6.35474 5.64942 6.97962 5.9655 numMergedOcc 0
73 mol 192 unq 0 iso 1 dist 7.00794 5.59424 5.76246 6.35474 6.97962 5.64942 9.53265 12.8149 9.78634 5.9655 numMergedOcc 0
74 mol 192 unq 1 iso 0 dist 5.59424 7.00794 5.76246 9.53265 9.78634 12.8149 5.25965 7.43054 6.79229 7.70298 numMergedOcc 0
75 mol 192 unq 1 iso 1 dist 7.00794 5.59424 5.76246 5.25965 6.79229 7.43054 9.53265 12.8149 9.78634 7.70298 numMergedOcc 0
76 mol 192 unq 2 iso 0 dist 5.59424 7.00794 5.76246 6.35474 5.64942 6.97962 5.25965 7.43054 6.79229 3.60331 numMergedOcc 0
77 mol 192 unq 2 iso 1 dist 7.00794 5.59424 5.76246 5.25965 6.79229 7.43054 6.35474 6.97962 5.64942 3.60331 numMergedOcc 0
78 mol 192 unq 3 iso 0 dist 5.59424 7.00794 5.76246 5.25965 7.43054 6.79229 6.35474 5.64942 6.97962 3.60331 numMergedOcc 0
79 mol 192 unq 3 iso 1 dist 7.00794 5.59424 5.76246 6.35474 6.97962 5.64942 5.25965 6.79229 7.43054 3.60331 numMergedOcc 0
80 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 8.8603 9.07743 7.66153 7.20604 12.8229 9.63573 10.3051 numMergedOcc 0
81 mol 259 unq 0 iso 1 dist 7.88519 8.13497 4.69778 7.20604 9.63573 12.8229 8.8603 7.66153 9.07743 10.3051 numMergedOcc 0
82 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 11.6988 9.46361 6.95511 10.067 10.3406 5.85442 3.51848 numMergedOcc 0
83 mol 259 unq 1 iso 1 dist 7.46176 7.88519 6.96053 10.067 5.85442 10.3406 11.6988 6.95511 9.46361 3.51848 numMergedOcc 0
84 mol 273 unq 0 iso 0 dist 6.92774 9.01049 7.03728 5.75897 9.21786 13.2256 12.2939 14.6946 9.59325 15.3217 numMergedOcc 0
85 mol 273 unq 0 iso 1 dist 9.01049 6.92774 7.03728 12.2939 9.59325 14.6946 5.75897 13.2256 9.21786 15.3217 numMergedOcc 0
