0 mol 7 unq 0 iso 0 dist 9.60499 6.7985 6.55304 6.44736 12.2869 6.14349 9.0379 10.6581 9.68596 10.7018 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 7.33768 4.32034 10.2653 15.5315 15.5324 8.4051 16.8439 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 7.33768 4.32034 10.2653 10.0952 8.86116 8.60554 12.9284 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 9.01567 8.67951 6.16544 15.5315 15.5324 8.4051 9.83002 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.86014 7.29868 8.52463 9.01567 8.67951 6.16544 10.0952 8.86116 8.60554 13.4393 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.86116 8.60554 8.52463 8.44664 10.971 14.1496 14.6259 15.5324 8.4051 17.8725 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 8.86116 8.60554 8.52463 8.44664 10.971 14.1496 10.0952 6.86014 7.29868 16.1126 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 8.86116 8.60554 8.52463 9.44691 13.4893 9.62033 14.6259 15.5324 8.4051 8.75662 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 8.86116 8.60554 8.52463 9.44691 13.4893 9.62033 10.0952 6.86014 7.29868 15.8209 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 8.86116 9.44691 13.4893 8.60554 8.52463 9.62033 14.6259 15.5324 8.75662 8.4051 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 8.86116 9.44691 13.4893 8.44664 10.971 10.4263 14.6259 15.5324 8.75662 17.8725 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 8.38394 8.60554 12.3994 8.44664 5.30734 14.1496 14.6259 17.8264 8.4051 17.8725 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 8.38394 8.60554 12.3994 8.44664 5.30734 14.1496 10.0952 12.5077 7.29868 16.1126 numMergedOcc 0
13 mol 24 unq 12 iso 0 dist 8.38394 8.60554 12.3994 9.44691 12.505 9.62033 14.6259 17.8264 8.4051 8.75662 numMergedOcc 0
14 mol 24 unq 13 iso 0 dist 8.38394 8.60554 12.3994 9.44691 12.505 9.62033 10.0952 12.5077 7.29868 15.8209 numMergedOcc 0
15 mol 24 unq 14 iso 0 dist 8.38394 9.44691 12.505 8.60554 12.3994 9.62033 14.6259 17.8264 8.75662 8.4051 numMergedOcc 0
16 mol 24 unq 15 iso 0 dist 8.38394 9.44691 12.505 8.44664 5.30734 10.4263 14.6259 17.8264 8.75662 17.8725 numMergedOcc 0
17 mol 24 unq 16 iso 0 dist 5.54419 8.4051 5.11617 8.23446 13.1779 14.1082 15.5315 11.0194 7.29868 20.9738 numMergedOcc 0
18 mol 24 unq 17 iso 0 dist 5.54419 8.4051 5.11617 8.23446 13.1779 14.1082 14.6259 13.2433 8.60554 17.6854 numMergedOcc 0
19 mol 24 unq 18 iso 0 dist 5.54419 8.4051 5.11617 8.75662 10.8238 9.62033 15.5315 11.0194 7.29868 15.8209 numMergedOcc 0
20 mol 24 unq 19 iso 0 dist 5.54419 8.4051 5.11617 8.75662 10.8238 9.62033 14.6259 13.2433 8.60554 9.44691 numMergedOcc 0
21 mol 24 unq 20 iso 0 dist 5.54419 8.75662 10.8238 8.4051 5.11617 9.62033 14.6259 13.2433 9.44691 8.60554 numMergedOcc 0
22 mol 24 unq 21 iso 0 dist 5.54419 8.75662 10.8238 8.23446 13.1779 11.342 14.6259 13.2433 9.44691 17.6854 numMergedOcc 0
23 mol 24 unq 22 iso 0 dist 5.54419 8.70827 5.59311 6.73939 12.176 15.0804 12.3067 7.36323 9.12854 18.673 numMergedOcc 0
24 mol 24 unq 23 iso 0 dist 5.54419 6.73939 12.176 8.70827 5.59311 15.0804 11.4989 15.5324 9.41441 18.2647 numMergedOcc 0
25 mol 24 unq 24 iso 0 dist 7.36323 8.4051 13.2229 8.23446 6.38336 14.1082 15.5315 20.3888 7.29868 20.9738 numMergedOcc 0
26 mol 24 unq 25 iso 0 dist 7.36323 8.4051 13.2229 8.23446 6.38336 14.1082 14.6259 15.5296 8.60554 17.6854 numMergedOcc 0
27 mol 24 unq 26 iso 0 dist 7.36323 8.4051 13.2229 8.75662 6.7828 9.62033 15.5315 20.3888 7.29868 15.8209 numMergedOcc 0
28 mol 24 unq 27 iso 0 dist 7.36323 8.4051 13.2229 8.75662 6.7828 9.62033 14.6259 15.5296 8.60554 9.44691 numMergedOcc 0
29 mol 24 unq 28 iso 0 dist 7.36323 8.75662 6.7828 8.4051 13.2229 9.62033 14.6259 15.5296 9.44691 8.60554 numMergedOcc 0
30 mol 24 unq 29 iso 0 dist 7.36323 8.75662 6.7828 8.23446 6.38336 11.342 14.6259 15.5296 9.44691 17.6854 numMergedOcc 0
31 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 9.01548 13.9331 12.6805 10.9391 11.9561 6.16347 13.8469 numMergedOcc 0
32 mol 25 unq 1 iso 0 dist 7.57578 6.16347 9.34396 7.92503 6.11127 12.7398 10.9391 12.7009 7.45383 16.8925 numMergedOcc 0
33 mol 25 unq 2 iso 0 dist 7.57578 7.92503 6.11127 6.16347 9.34396 12.7398 10.6808 13.7311 8.6653 16.0183 numMergedOcc 0
34 mol 25 unq 3 iso 0 dist 7.17969 6.16347 10.8498 7.92503 5.30154 12.7398 10.9391 12.8117 7.45383 16.8925 numMergedOcc 0
35 mol 25 unq 4 iso 0 dist 7.17969 7.92503 5.30154 6.16347 10.8498 12.7398 10.6808 12.9968 8.6653 16.0183 numMergedOcc 0
36 mol 100 unq 0 iso 0 dist 7.47343 8.30845 12.2861 8.76378 15.5385 13.3504 5.88134 12.0662 7.01812 10.0635 numMergedOcc 0
37 mol 100 unq 1 iso 0 dist 6.65086 8.30845 5.80144 8.76378 12.3577 13.3504 5.88134 9.60661 7.01812 10.0635 numMergedOcc 0
38 mol 100 unq 2 iso 0 dist 6.56369 8.30845 10.0456 8.76378 4.97045 13.3504 5.88134 9.35224 7.01812 10.0635 numMergedOcc 0
39 mol 100 unq 3 iso 0 dist 9.30209 8.30845 6.70236 8.76378 10.7791 13.3504 5.88134 10.5853 7.01812 10.0635 numMergedOcc 0
40 mol 119 unq 0 iso 0 dist 8.73993 6.52773 7.20179 9.23858 9.89358 12.3703 4.85907 10.3704 9.11344 12.7677 numMergedOcc 0
41 mol 125 unq 0 iso 0 dist 8.62381 7.73435 7.43922 9.3778 11.0769 4.38093 5.20403 12.7528 8.76789 9.08382 numMergedOcc 0
42 mol 125 unq 1 iso 0 dist 8.62381 9.3778 11.0769 7.73435 7.43922 4.38093 5.20403 12.7528 9.08382 8.76789 numMergedOcc 0
43 mol 125 unq 2 iso 0 dist 8.62381 9.3778 11.0769 7.73435 7.43922 4.38093 11.8325 17.1992 7.47069 11.1764 numMergedOcc 0
44 mol 156 unq 0 iso 0 dist 7.44554 9.44367 5.4555 9.47433 11.9952 16.7026 5.56175 8.94056 7.90267 14.7758 numMergedOcc 0
45 mol 156 unq 1 iso 0 dist 7.44554 9.47433 11.9952 9.44367 5.4555 16.7026 5.76755 10.4649 6.30021 13.5699 numMergedOcc 0
46 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 7.51126 5.75144 6.24983 6.52462 12.8696 9.10511 13.0689 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 5.98885 7.99195 6.6251 9.72611 5.6044 12.1167 8.88798 9.1374 6.2479 14.2254 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 5.98885 7.99195 6.6251 9.72611 5.6044 12.1167 12.6324 9.94371 6.22122 14.6449 numMergedOcc 0
49 mol 181 unq 2 iso 0 dist 9.09537 7.99195 10.09 9.72611 12.9468 12.1167 8.88798 15.0228 6.2479 14.2254 numMergedOcc 0
50 mol 181 unq 3 iso 0 dist 9.09537 7.99195 10.09 9.72611 12.9468 12.1167 12.6324 16.2058 6.22122 14.6449 numMergedOcc 0
51 mol 181 unq 4 iso 0 dist 7.63312 6.41453 7.20191 5.9176 5.63555 9.53592 8.85576 7.81386 9.39829 10.4943 numMergedOcc 0
52 mol 206 unq 0 iso 0 dist 7.7366 6.16414 6.45859 7.33701 4.40897 6.46458 5.63422 9.774 7.75885 11.4872 numMergedOcc 0
53 mol 206 unq 1 iso 0 dist 7.7366 6.16414 6.45859 8.0871 7.62219 9.9892 5.63422 9.774 7.75885 13.2041 numMergedOcc 0
54 mol 227 unq 0 iso 0 dist 9.34734 7.43071 6.00424 5.41321 10.7656 11.362 4.39704 10.4905 6.02296 9.74265 numMergedOcc 0
55 mol 227 unq 1 iso 0 dist 7.22101 7.43071 6.35849 5.41321 10.9607 11.362 4.39704 7.09863 6.02296 9.74265 numMergedOcc 0
56 mol 227 unq 2 iso 0 dist 8.65997 7.43071 10.204 5.41321 9.72615 11.362 4.39704 10.8157 6.02296 9.74265 numMergedOcc 0
57 mol 227 unq 3 iso 0 dist 7.56888 7.43071 9.76735 5.41321 5.10635 11.362 4.39704 11.0431 6.02296 9.74265 numMergedOcc 0
58 mol 227 unq 4 iso 0 dist 7.55216 7.43071 9.32448 5.41321 6.48027 11.362 4.39704 10.0334 6.02296 9.74265 numMergedOcc 0
