0 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 8.7083 11.877 8.54034 10.3056 9.32205 6.60936 6.41656 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 10.4416 13.0732 8.54034 13.287 13.8916 6.60936 6.41656 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 7.75618 9.74255 8.7083 13.0732 8.54034 10.3056 13.8916 6.60936 6.41656 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.51865 8.40416 7.08342 10.4416 12.2354 8.54034 13.287 13.0631 6.60936 6.41656 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 6.864 7.75618 7.08342 8.7083 12.2354 8.54034 10.3056 13.0631 6.60936 6.41656 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 8.91183 12.5088 6.19899 12.2059 12.2662 4.15946 7.26334 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 8.91183 12.5088 6.19899 7.29868 8.52463 6.16544 6.61696 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 6.86014 9.01567 8.67951 13.0212 15.4457 8.49709 12.2059 12.2662 4.15946 5.78532 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 6.86014 7.29868 8.52463 8.91183 12.5088 6.61696 12.2059 12.2662 9.92026 7.26334 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 6.86014 7.29868 8.52463 8.91183 12.5088 6.61696 9.01567 8.67951 6.16544 6.19899 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.86116 8.60554 8.52463 14.8647 12.5088 6.61696 17.592 12.2662 9.92026 7.26334 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 8.86116 8.60554 8.52463 14.8647 12.5088 6.61696 13.4393 8.67951 6.16544 6.19899 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 8.86116 9.44691 13.4893 14.4081 17.9275 9.586 17.6854 21.8521 11.342 4.44526 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 8.38394 8.60554 12.3994 14.8647 17.9146 6.61696 17.592 17.3058 9.92026 7.26334 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 8.38394 8.60554 12.3994 14.8647 17.9146 6.61696 13.4393 13.6595 6.16544 6.19899 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 8.38394 9.44691 12.505 14.4081 19.8965 9.586 17.6854 23.0656 11.342 4.44526 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 5.54419 8.4051 5.11617 10.1698 5.68215 6.61696 11.3566 6.56748 9.92026 7.26334 numMergedOcc 0
17 mol 24 unq 12 iso 0 dist 5.54419 8.4051 5.11617 10.1698 5.68215 6.61696 9.83002 4.50066 6.16544 6.19899 numMergedOcc 0
18 mol 24 unq 13 iso 0 dist 5.54419 8.23446 13.1779 5.50396 9.33482 4.44526 8.75662 10.8238 11.342 9.586 numMergedOcc 0
19 mol 24 unq 14 iso 0 dist 5.54419 8.75662 10.8238 5.50396 9.33482 9.586 8.23446 13.1779 11.342 4.44526 numMergedOcc 0
20 mol 24 unq 15 iso 0 dist 7.36323 8.4051 13.2229 10.1698 17.003 6.61696 11.3566 18.1606 9.92026 7.26334 numMergedOcc 0
21 mol 24 unq 16 iso 0 dist 7.36323 8.4051 13.2229 10.1698 17.003 6.61696 9.83002 16.0443 6.16544 6.19899 numMergedOcc 0
22 mol 24 unq 17 iso 0 dist 7.36323 8.23446 6.38336 5.50396 7.27472 4.44526 8.75662 6.7828 11.342 9.586 numMergedOcc 0
23 mol 24 unq 18 iso 0 dist 7.36323 8.75662 6.7828 5.50396 7.27472 9.586 8.23446 6.38336 11.342 4.44526 numMergedOcc 0
24 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 9.61019 6.68639 4.43692 9.81524 numMergedOcc 0
25 mol 25 unq 1 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 12.4659 9.15781 4.43692 9.81524 numMergedOcc 0
26 mol 25 unq 2 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 10.3593 9.15781 4.43692 9.81524 numMergedOcc 0
27 mol 41 unq 0 iso 0 dist 6.19529 8.51663 8.94326 13.4019 13.8177 6.21128 12.3135 14.5132 6.79252 9.57024 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 11.3043 7.94178 10.2754 9.25444 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 11.3043 7.94178 10.2754 9.84703 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 11.3043 15.7178 10.2754 9.25444 numMergedOcc 0
31 mol 98 unq 3 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 11.3043 15.7178 10.2754 9.84703 numMergedOcc 0
32 mol 98 unq 4 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 11.3043 9.85543 10.2754 9.25444 numMergedOcc 0
33 mol 98 unq 5 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 11.3043 9.85543 10.2754 9.84703 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 4.03277 8.91882 6.59691 9.1361 6.71012 4.36434 6.55173 numMergedOcc 0
35 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 4.03277 10.5432 6.59691 9.1361 12.5531 4.36434 6.55173 numMergedOcc 0
36 mol 100 unq 2 iso 0 dist 9.35224 7.01812 10.0456 4.03277 11.5088 6.59691 9.1361 13.0596 4.36434 6.55173 numMergedOcc 0
37 mol 100 unq 3 iso 0 dist 7.47343 8.30845 12.2861 6.23008 9.76432 6.59691 9.5074 10.6245 4.36434 6.55173 numMergedOcc 0
38 mol 100 unq 4 iso 0 dist 6.65086 8.30845 5.80144 6.23008 8.91882 6.59691 9.5074 6.71012 4.36434 6.55173 numMergedOcc 0
39 mol 100 unq 5 iso 0 dist 6.56369 8.30845 10.0456 6.23008 11.5088 6.59691 9.5074 13.0596 4.36434 6.55173 numMergedOcc 0
40 mol 100 unq 6 iso 0 dist 9.30209 8.30845 6.70236 6.23008 11.6812 6.59691 9.5074 9.97598 4.36434 6.55173 numMergedOcc 0
41 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 4.78563 5.37047 5.06564 8.91301 5.20762 4.30566 7.5373 numMergedOcc 0
42 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 4.78563 5.37047 7.5373 7.78652 6.48978 4.30566 5.06564 numMergedOcc 0
43 mol 155 unq 0 iso 0 dist 6.43582 7.92304 5.50031 4.91785 8.97626 9.16358 10.3161 6.89781 6.56063 9.24038 numMergedOcc 0
44 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 4.78249 9.51256 6.47164 7.51126 5.75144 6.24983 9.65126 numMergedOcc 0
45 mol 170 unq 1 iso 0 dist 9.76807 7.51126 5.75144 4.78249 9.51256 9.65126 6.35982 4.34698 6.24983 6.47164 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 6.28125 10.0802 9.06571 6.59025 8.04639 9.87773 9.88897 numMergedOcc 0
47 mol 181 unq 1 iso 0 dist 8.03334 6.59025 8.04639 6.28125 10.0802 9.88897 6.46704 4.43096 9.87773 9.06571 numMergedOcc 0
48 mol 181 unq 2 iso 0 dist 7.81386 9.39829 7.20191 5.83796 9.55105 8.4848 10.4943 5.63555 9.53592 9.43306 numMergedOcc 0
49 mol 181 unq 3 iso 0 dist 7.63312 5.9176 5.63555 5.12833 9.55105 9.43306 6.41453 7.20191 9.53592 8.4848 numMergedOcc 0
50 mol 181 unq 4 iso 0 dist 7.63312 6.41453 7.20191 5.12833 9.55105 8.4848 5.9176 5.63555 9.53592 9.43306 numMergedOcc 0
51 mol 227 unq 0 iso 0 dist 9.34734 7.43071 6.00424 5.0317 10.7855 9.18728 5.41321 10.7656 11.362 8.91971 numMergedOcc 0
52 mol 227 unq 1 iso 0 dist 9.34734 5.41321 10.7656 5.0317 10.7855 8.91971 7.43071 6.00424 11.362 9.18728 numMergedOcc 0
53 mol 227 unq 2 iso 0 dist 7.22101 7.43071 6.35849 5.0317 5.23634 9.18728 5.41321 10.9607 11.362 8.91971 numMergedOcc 0
54 mol 227 unq 3 iso 0 dist 7.22101 5.41321 10.9607 5.0317 5.23634 8.91971 7.43071 6.35849 11.362 9.18728 numMergedOcc 0
55 mol 227 unq 4 iso 0 dist 8.65997 7.43071 10.204 5.0317 6.91318 9.18728 5.41321 9.72615 11.362 8.91971 numMergedOcc 0
56 mol 227 unq 5 iso 0 dist 8.65997 5.41321 9.72615 5.0317 6.91318 8.91971 7.43071 10.204 11.362 9.18728 numMergedOcc 0
57 mol 227 unq 6 iso 0 dist 7.56888 7.43071 9.76735 5.0317 11.2661 9.18728 5.41321 5.10635 11.362 8.91971 numMergedOcc 0
58 mol 227 unq 7 iso 0 dist 7.56888 5.41321 5.10635 5.0317 11.2661 8.91971 7.43071 9.76735 11.362 9.18728 numMergedOcc 0
59 mol 227 unq 8 iso 0 dist 7.55216 7.43071 9.32448 5.0317 12.3663 9.18728 5.41321 6.48027 11.362 8.91971 numMergedOcc 0
60 mol 227 unq 9 iso 0 dist 7.55216 5.41321 6.48027 5.0317 12.3663 8.91971 7.43071 9.32448 11.362 9.18728 numMergedOcc 0
61 mol 227 unq 10 iso 0 dist 7.09863 6.02296 6.35849 5.83175 5.23634 9.18728 9.74265 10.9607 11.362 8.91971 numMergedOcc 0
62 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 16.9539 12.8334 8.60027 15.461 15.2532 10.7637 9.65868 numMergedOcc 0
