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 numMergedOcc 0
1 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 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 10.1698 5.68215 17.003 6.61696 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 6.28159 8.87744 10.4135 4.5711 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.50396 7.27472 9.33482 4.44526 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 5.50396 7.27472 9.33482 9.586 numMergedOcc 0
6 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 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 9.87158 9.22598 8.96727 9.01564 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 9.87158 8.96727 13.3281 9.01564 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 5.86526 8.01308 11.5155 7.11065 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 9.87158 8.96727 9.22598 9.01564 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 5.86526 8.01308 9.55996 7.11065 numMergedOcc 0
12 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 numMergedOcc 0
13 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 numMergedOcc 0
14 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 numMergedOcc 0
15 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 numMergedOcc 0
16 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 numMergedOcc 0
17 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 numMergedOcc 0
18 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 numMergedOcc 0
19 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 numMergedOcc 0
20 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 numMergedOcc 0
21 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 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 3.9764 5.92242 5.2571 4.62494 numMergedOcc 0
23 mol 98 unq 4 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 10.4782 7.54889 9.81956 8.46823 numMergedOcc 0
24 mol 98 unq 5 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 3.9764 5.2571 5.10496 4.62494 numMergedOcc 0
25 mol 98 unq 6 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 10.4782 7.54889 10.8223 8.46823 numMergedOcc 0
26 mol 98 unq 7 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 3.9764 5.2571 5.92242 4.62494 numMergedOcc 0
27 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 7.01812 5.80144 8.4128 4.03277 8.91882 10.5432 6.59691 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 7.01812 5.80144 10.0456 4.03277 8.91882 11.5088 6.59691 numMergedOcc 0
29 mol 100 unq 2 iso 0 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 6.23008 8.91882 9.76432 6.59691 numMergedOcc 0
30 mol 100 unq 3 iso 0 dist 6.65086 6.56369 7.80879 8.30845 5.80144 10.0456 6.23008 8.91882 11.5088 6.59691 numMergedOcc 0
31 mol 100 unq 4 iso 0 dist 6.65086 9.30209 5.38414 8.30845 5.80144 6.70236 6.23008 8.91882 11.6812 6.59691 numMergedOcc 0
32 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 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 8.06642 7.21868 11.988 9.0176 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 8.06642 7.93372 7.21868 9.0176 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 8.06642 7.93372 11.988 9.0176 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 4.00092 7.21868 7.93372 9.0176 numMergedOcc 0
37 mol 134 unq 5 iso 0 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 4.00092 7.93372 7.21868 9.0176 numMergedOcc 0
38 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 numMergedOcc 0
39 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 numMergedOcc 0
40 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 numMergedOcc 0
41 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 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 7.43071 6.35849 6.00424 5.0317 5.23634 10.7855 9.18728 numMergedOcc 0
43 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 5.41321 10.9607 10.7656 5.0317 5.23634 10.7855 8.91971 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.43071 6.35849 10.204 5.0317 5.23634 6.91318 9.18728 numMergedOcc 0
45 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 5.41321 10.9607 9.72615 5.0317 5.23634 6.91318 8.91971 numMergedOcc 0
46 mol 227 unq 4 iso 0 dist 7.22101 7.56888 10.8658 7.43071 6.35849 9.76735 5.0317 5.23634 11.2661 9.18728 numMergedOcc 0
47 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 5.41321 10.9607 5.10635 5.0317 5.23634 11.2661 8.91971 numMergedOcc 0
48 mol 227 unq 6 iso 0 dist 7.22101 7.55216 12.4689 7.43071 6.35849 9.32448 5.0317 5.23634 12.3663 9.18728 numMergedOcc 0
49 mol 227 unq 7 iso 0 dist 7.22101 7.55216 12.4689 5.41321 10.9607 6.48027 5.0317 5.23634 12.3663 8.91971 numMergedOcc 0
50 mol 227 unq 8 iso 0 dist 8.65997 9.34734 7.60506 7.43071 10.204 6.00424 5.0317 6.91318 10.7855 9.18728 numMergedOcc 0
51 mol 227 unq 9 iso 0 dist 8.65997 9.34734 7.60506 5.41321 9.72615 10.7656 5.0317 6.91318 10.7855 8.91971 numMergedOcc 0
52 mol 227 unq 10 iso 0 dist 8.65997 7.22101 5.22356 7.43071 10.204 6.35849 5.0317 6.91318 5.23634 9.18728 numMergedOcc 0
53 mol 227 unq 11 iso 0 dist 8.65997 7.22101 5.22356 5.41321 9.72615 10.9607 5.0317 6.91318 5.23634 8.91971 numMergedOcc 0
54 mol 227 unq 12 iso 0 dist 8.65997 7.56888 9.70012 7.43071 10.204 9.76735 5.0317 6.91318 11.2661 9.18728 numMergedOcc 0
55 mol 227 unq 13 iso 0 dist 8.65997 7.56888 9.70012 5.41321 9.72615 5.10635 5.0317 6.91318 11.2661 8.91971 numMergedOcc 0
56 mol 227 unq 14 iso 0 dist 8.65997 7.55216 12.9332 7.43071 10.204 9.32448 5.0317 6.91318 12.3663 9.18728 numMergedOcc 0
57 mol 227 unq 15 iso 0 dist 8.65997 7.55216 12.9332 5.41321 9.72615 6.48027 5.0317 6.91318 12.3663 8.91971 numMergedOcc 0
