0 mol 19 unq 0 iso 0 dist 8.40416 7.67038 7.75618 10.4416 8.54034 8.7083 13.287 6.60936 10.3056 6.41656 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 7.75618 7.67038 8.40416 8.7083 8.54034 10.4416 10.3056 6.60936 13.287 6.41656 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 7.51452 16.5895 9.20198 16.3456 9.07213 4.18921 12.3294 6.05053 6.09764 5.99466 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 9.20198 16.5895 7.51452 4.18921 9.07213 16.3456 6.09764 6.05053 12.3294 5.99466 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.4051 15.5315 7.29868 10.1698 6.61696 8.91183 11.3566 9.92026 12.2059 7.26334 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 7.29868 15.5315 8.4051 8.91183 6.61696 10.1698 12.2059 9.92026 11.3566 7.26334 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.4051 15.5315 7.29868 10.1698 6.61696 8.91183 9.83002 6.16544 9.01567 6.19899 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 7.29868 15.5315 8.4051 8.91183 6.61696 10.1698 9.01567 6.16544 9.83002 6.19899 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 8.4051 14.6259 8.60554 10.1698 6.61696 14.8647 11.3566 9.92026 17.592 7.26334 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 8.60554 14.6259 8.4051 14.8647 6.61696 10.1698 17.592 9.92026 11.3566 7.26334 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 8.4051 14.6259 8.60554 10.1698 6.61696 14.8647 9.83002 6.16544 13.4393 6.19899 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 8.60554 14.6259 8.4051 14.8647 6.61696 10.1698 13.4393 6.16544 9.83002 6.19899 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 7.29868 10.0952 8.60554 8.91183 6.61696 14.8647 12.2059 9.92026 17.592 7.26334 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 8.60554 10.0952 7.29868 14.8647 6.61696 8.91183 17.592 9.92026 12.2059 7.26334 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 7.29868 10.0952 8.60554 8.91183 6.61696 14.8647 9.01567 6.16544 13.4393 6.19899 numMergedOcc 0
15 mol 24 unq 3 iso 1 dist 8.60554 10.0952 7.29868 14.8647 6.61696 8.91183 13.4393 6.16544 9.01567 6.19899 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 8.75662 14.6259 9.44691 5.50396 9.586 14.4081 8.23446 11.342 17.6854 4.44526 numMergedOcc 0
17 mol 24 unq 4 iso 1 dist 9.44691 14.6259 8.75662 14.4081 9.586 5.50396 17.6854 11.342 8.23446 4.44526 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 8.87757 15.5644 8.50222 13.6145 6.53269 5.18617 9.61019 4.43692 12.4659 9.81524 numMergedOcc 0
19 mol 25 unq 0 iso 1 dist 8.50222 15.5644 8.87757 5.18617 6.53269 13.6145 12.4659 4.43692 9.61019 9.81524 numMergedOcc 0
20 mol 25 unq 1 iso 0 dist 8.87757 16.1048 7.55264 13.6145 6.53269 5.68041 9.61019 4.43692 10.3593 9.81524 numMergedOcc 0
21 mol 25 unq 1 iso 1 dist 7.55264 16.1048 8.87757 5.68041 6.53269 13.6145 10.3593 4.43692 9.61019 9.81524 numMergedOcc 0
22 mol 25 unq 1 iso 0 dist 8.50222 4.33106 7.55264 5.18617 6.53269 5.68041 12.4659 4.43692 10.3593 9.81524 numMergedOcc 0
23 mol 25 unq 1 iso 1 dist 7.55264 4.33106 8.50222 5.68041 6.53269 5.18617 10.3593 4.43692 12.4659 9.81524 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 7.01812 5.88134 8.30845 4.03277 6.59691 6.23008 9.1361 4.36434 9.5074 6.55173 numMergedOcc 0
25 mol 100 unq 0 iso 1 dist 8.30845 5.88134 7.01812 6.23008 6.59691 4.03277 9.5074 4.36434 9.1361 6.55173 numMergedOcc 0
26 mol 135 unq 0 iso 0 dist 5.62052 6.57193 7.85645 8.50814 7.28318 3.95636 7.90563 6.35752 8.97655 7.17599 numMergedOcc 0
27 mol 135 unq 0 iso 1 dist 7.85645 6.57193 5.62052 3.95636 7.28318 8.50814 8.97655 6.35752 7.90563 7.17599 numMergedOcc 0
28 mol 135 unq 1 iso 0 dist 7.90563 6.57193 8.97655 8.50814 7.17599 3.95636 5.62052 6.35752 7.85645 7.28318 numMergedOcc 0
29 mol 135 unq 1 iso 1 dist 8.97655 6.57193 7.90563 3.95636 7.17599 8.50814 7.85645 6.35752 5.62052 7.28318 numMergedOcc 0
30 mol 155 unq 0 iso 0 dist 8.69157 7.01918 6.53347 12.6999 9.24038 7.10286 14.7195 6.56063 11.1616 9.16358 numMergedOcc 0
31 mol 155 unq 0 iso 1 dist 6.53347 7.01918 8.69157 7.10286 9.24038 12.6999 11.1616 6.56063 14.7195 9.16358 numMergedOcc 0
32 mol 170 unq 0 iso 0 dist 9.10511 6.52462 6.35982 4.12764 6.47164 4.78249 13.0689 6.24983 7.51126 9.65126 numMergedOcc 0
33 mol 170 unq 0 iso 1 dist 6.35982 6.52462 9.10511 4.78249 6.47164 4.12764 7.51126 6.24983 13.0689 9.65126 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 9.39829 8.85576 6.41453 5.83796 8.4848 5.12833 10.4943 9.53592 5.9176 9.43306 numMergedOcc 0
35 mol 181 unq 0 iso 1 dist 6.41453 8.85576 9.39829 5.12833 8.4848 5.83796 5.9176 9.53592 10.4943 9.43306 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 7.43071 4.39704 6.02296 5.0317 9.18728 5.83175 5.41321 11.362 9.74265 8.91971 numMergedOcc 0
37 mol 227 unq 0 iso 1 dist 6.02296 4.39704 7.43071 5.83175 9.18728 5.0317 9.74265 11.362 5.41321 8.91971 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 7.46394 10.501 9.45514 14.7507 9.65868 8.87855 10.672 10.7637 6.39866 8.60027 numMergedOcc 0
39 mol 274 unq 0 iso 1 dist 9.45514 10.501 7.46394 8.87855 9.65868 14.7507 6.39866 10.7637 10.672 8.60027 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 7.46394 14.3919 8.91672 14.7507 9.65868 12.5615 10.672 10.7637 16.422 8.60027 numMergedOcc 0
41 mol 274 unq 1 iso 1 dist 8.91672 14.3919 7.46394 12.5615 9.65868 14.7507 16.422 10.7637 10.672 8.60027 numMergedOcc 0
42 mol 274 unq 2 iso 0 dist 7.46394 6.15918 7.1729 14.7507 9.65868 13.0867 10.672 10.7637 10.6913 8.60027 numMergedOcc 0
43 mol 274 unq 2 iso 1 dist 7.1729 6.15918 7.46394 13.0867 9.65868 14.7507 10.6913 10.7637 10.672 8.60027 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 9.45514 11.7196 8.91672 8.87855 9.65868 12.5615 6.39866 10.7637 16.422 8.60027 numMergedOcc 0
45 mol 274 unq 1 iso 1 dist 8.91672 11.7196 9.45514 12.5615 9.65868 8.87855 16.422 10.7637 6.39866 8.60027 numMergedOcc 0
46 mol 274 unq 2 iso 0 dist 9.45514 6.828 7.1729 8.87855 9.65868 13.0867 6.39866 10.7637 10.6913 8.60027 numMergedOcc 0
47 mol 274 unq 2 iso 1 dist 7.1729 6.828 9.45514 13.0867 9.65868 8.87855 10.6913 10.7637 6.39866 8.60027 numMergedOcc 0
48 mol 274 unq 2 iso 0 dist 8.91672 10.0083 7.1729 12.5615 9.65868 13.0867 16.422 10.7637 10.6913 8.60027 numMergedOcc 0
49 mol 274 unq 2 iso 1 dist 7.1729 10.0083 8.91672 13.0867 9.65868 12.5615 10.6913 10.7637 16.422 8.60027 numMergedOcc 0
50 mol 274 unq 3 iso 0 dist 8.52587 11.3308 6.39866 16.9539 8.60027 8.87855 15.461 10.7637 9.45514 9.65868 numMergedOcc 0
51 mol 274 unq 3 iso 1 dist 6.39866 11.3308 8.52587 8.87855 8.60027 16.9539 9.45514 10.7637 15.461 9.65868 numMergedOcc 0
