0 mol 19 unq 0 iso 0 dist 8.40416 10.4416 8.54034 13.287 6.60936 6.41656 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.75618 8.7083 8.54034 10.3056 6.60936 6.41656 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 7.51452 16.3456 9.07213 12.3294 6.05053 5.99466 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 6.09764 4.18921 5.99466 9.20198 6.05053 9.07213 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 9.20198 4.18921 9.07213 6.09764 6.05053 5.99466 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.01567 8.91183 6.19899 12.2059 4.15946 7.26334 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.01567 8.91183 6.19899 7.29868 6.16544 6.61696 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 9.01567 13.0212 8.49709 12.2059 4.15946 5.78532 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.4051 10.1698 6.61696 11.3566 9.92026 7.26334 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.4051 10.1698 6.61696 9.83002 6.16544 6.19899 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 7.29868 8.91183 6.61696 12.2059 9.92026 7.26334 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 7.29868 8.91183 6.61696 9.01567 6.16544 6.19899 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 8.60554 14.8647 6.61696 17.592 9.92026 7.26334 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 8.60554 14.8647 6.61696 13.4393 6.16544 6.19899 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 8.23446 5.50396 4.44526 8.75662 11.342 9.586 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 8.75662 5.50396 9.586 8.23446 11.342 4.44526 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 9.44691 14.4081 9.586 17.6854 11.342 4.44526 numMergedOcc 0
17 mol 25 unq 0 iso 0 dist 8.87757 13.6145 6.53269 9.61019 4.43692 9.81524 numMergedOcc 0
18 mol 25 unq 1 iso 0 dist 8.50222 5.18617 6.53269 12.4659 4.43692 9.81524 numMergedOcc 0
19 mol 25 unq 2 iso 0 dist 7.55264 5.68041 6.53269 10.3593 4.43692 9.81524 numMergedOcc 0
20 mol 41 unq 0 iso 0 dist 8.51663 13.4019 6.21128 12.3135 6.79252 9.57024 numMergedOcc 0
21 mol 92 unq 0 iso 0 dist 7.52354 6.95017 8.93769 11.3767 5.74171 8.98912 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 6.65501 10.4782 8.46823 11.3043 10.2754 9.25444 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 6.65501 3.9764 4.62494 11.3043 10.2754 9.84703 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 7.01812 4.03277 6.59691 9.1361 4.36434 6.55173 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 8.30845 6.23008 6.59691 9.5074 4.36434 6.55173 numMergedOcc 0
26 mol 135 unq 0 iso 0 dist 5.62052 8.50814 7.28318 7.90563 6.35752 7.17599 numMergedOcc 0
27 mol 135 unq 1 iso 0 dist 7.90563 8.50814 7.17599 5.62052 6.35752 7.28318 numMergedOcc 0
28 mol 135 unq 2 iso 0 dist 7.85645 3.95636 7.28318 8.97655 6.35752 7.17599 numMergedOcc 0
29 mol 135 unq 3 iso 0 dist 8.97655 3.95636 7.17599 7.85645 6.35752 7.28318 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 7.78652 4.78563 5.06564 8.91301 4.30566 7.5373 numMergedOcc 0
31 mol 143 unq 1 iso 0 dist 8.91301 4.78563 7.5373 7.78652 4.30566 5.06564 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 7.92304 4.91785 9.16358 10.3161 6.56063 9.24038 numMergedOcc 0
33 mol 155 unq 1 iso 0 dist 8.69157 12.6999 9.24038 14.7195 6.56063 9.16358 numMergedOcc 0
34 mol 155 unq 2 iso 0 dist 6.53347 7.10286 9.24038 11.1616 6.56063 9.16358 numMergedOcc 0
35 mol 170 unq 0 iso 0 dist 9.10511 4.12764 6.47164 13.0689 6.24983 9.65126 numMergedOcc 0
36 mol 170 unq 1 iso 0 dist 6.35982 4.78249 6.47164 7.51126 6.24983 9.65126 numMergedOcc 0
37 mol 170 unq 2 iso 0 dist 7.51126 4.78249 9.65126 6.35982 6.24983 6.47164 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 6.46704 6.28125 9.06571 6.59025 9.87773 9.88897 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 6.59025 6.28125 9.88897 6.46704 9.87773 9.06571 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 5.9176 5.12833 9.43306 6.41453 9.53592 8.4848 numMergedOcc 0
41 mol 181 unq 3 iso 0 dist 9.39829 5.83796 8.4848 10.4943 9.53592 9.43306 numMergedOcc 0
42 mol 181 unq 4 iso 0 dist 6.41453 5.12833 8.4848 5.9176 9.53592 9.43306 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 8.29382 5.97754 8.64056 9.69399 6.36327 9.32959 numMergedOcc 0
44 mol 212 unq 0 iso 0 dist 8.69988 3.9436 9.10288 8.55903 6.18191 6.19798 numMergedOcc 0
45 mol 212 unq 1 iso 0 dist 8.69988 3.9436 9.10288 10.6618 9.88475 7.24895 numMergedOcc 0
46 mol 212 unq 2 iso 0 dist 8.55903 3.9436 6.19798 8.69988 6.18191 9.10288 numMergedOcc 0
47 mol 212 unq 3 iso 0 dist 8.55903 3.9436 6.19798 10.6618 4.36986 7.24895 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 7.43071 5.0317 9.18728 5.41321 11.362 8.91971 numMergedOcc 0
49 mol 227 unq 1 iso 0 dist 5.41321 5.0317 8.91971 7.43071 11.362 9.18728 numMergedOcc 0
50 mol 227 unq 2 iso 0 dist 6.02296 5.83175 9.18728 9.74265 11.362 8.91971 numMergedOcc 0
51 mol 274 unq 0 iso 0 dist 7.46394 14.7507 9.65868 10.672 10.7637 8.60027 numMergedOcc 0
52 mol 274 unq 1 iso 0 dist 9.45514 8.87855 9.65868 6.39866 10.7637 8.60027 numMergedOcc 0
53 mol 274 unq 2 iso 0 dist 8.91672 12.5615 9.65868 16.422 10.7637 8.60027 numMergedOcc 0
54 mol 274 unq 3 iso 0 dist 7.1729 13.0867 9.65868 10.6913 10.7637 8.60027 numMergedOcc 0
55 mol 274 unq 4 iso 0 dist 8.52587 16.9539 8.60027 15.461 10.7637 9.65868 numMergedOcc 0
56 mol 274 unq 5 iso 0 dist 6.39866 8.87855 8.60027 9.45514 10.7637 9.65868 numMergedOcc 0
57 mol 279 unq 0 iso 0 dist 9.09855 4.14939 8.98854 10.6879 13.3172 9.42255 numMergedOcc 0
58 mol 279 unq 1 iso 0 dist 7.23721 10.7629 9.42255 16.0419 13.3172 8.98854 numMergedOcc 0
