0 mol 20 unq 0 iso 0 dist 7.51452 6.03547 6.92904 16.5895 9.20198 15.139 16.3456 9.07213 15.0475 4.18921 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.20198 6.09764 6.05053 16.5895 7.51452 12.3294 4.18921 9.07213 5.99466 16.3456 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.73939 8.70827 15.0804 11.4989 9.41441 18.2647 15.4313 9.85784 22.5395 9.88364 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.73939 8.70827 15.0804 11.4989 9.41441 18.2647 14.1829 9.87996 20.2392 9.78753 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.4051 8.23446 14.1082 15.5315 7.29868 20.9738 10.1698 6.61696 16.1924 8.91183 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.4051 8.23446 14.1082 15.5315 7.29868 20.9738 13.6174 5.80953 17.4861 5.69214 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.4051 8.23446 14.1082 14.6259 8.60554 17.6854 10.1698 6.61696 16.1924 14.8647 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.4051 8.23446 14.1082 14.6259 8.60554 17.6854 13.6174 5.80953 17.4861 5.11636 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 8.4051 8.75662 9.62033 15.5315 7.29868 15.8209 10.1698 6.61696 15.3807 8.91183 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 8.4051 8.75662 9.62033 15.5315 7.29868 15.8209 13.6174 5.80953 11.7489 5.69214 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 8.4051 8.75662 9.62033 14.6259 8.60554 9.44691 10.1698 6.61696 15.3807 14.8647 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 8.4051 8.75662 9.62033 14.6259 8.60554 9.44691 13.6174 5.80953 11.7489 5.11636 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 7.29868 7.33768 10.2653 15.5315 8.4051 16.8439 8.91183 6.61696 11.9029 10.1698 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 7.29868 7.33768 10.2653 15.5315 8.4051 16.8439 5.69214 5.80953 10.8435 13.6174 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 7.29868 7.33768 10.2653 10.0952 8.60554 12.9284 8.91183 6.61696 11.9029 14.8647 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 7.29868 7.33768 10.2653 10.0952 8.60554 12.9284 5.69214 5.80953 10.8435 5.11636 numMergedOcc 0
16 mol 24 unq 14 iso 0 dist 7.29868 9.01567 6.16544 15.5315 8.4051 9.83002 8.91183 6.61696 6.19899 10.1698 numMergedOcc 0
17 mol 24 unq 15 iso 0 dist 7.29868 9.01567 6.16544 15.5315 8.4051 9.83002 5.69214 5.80953 10.8068 13.6174 numMergedOcc 0
18 mol 24 unq 16 iso 0 dist 7.29868 9.01567 6.16544 10.0952 8.60554 13.4393 8.91183 6.61696 6.19899 14.8647 numMergedOcc 0
19 mol 24 unq 17 iso 0 dist 7.29868 9.01567 6.16544 10.0952 8.60554 13.4393 5.69214 5.80953 10.8068 5.11636 numMergedOcc 0
20 mol 24 unq 18 iso 0 dist 8.60554 8.44664 14.1496 14.6259 8.4051 17.8725 14.8647 6.61696 20.4659 10.1698 numMergedOcc 0
21 mol 24 unq 19 iso 0 dist 8.60554 8.44664 14.1496 14.6259 8.4051 17.8725 5.11636 5.80953 12.8213 13.6174 numMergedOcc 0
22 mol 24 unq 20 iso 0 dist 8.60554 8.44664 14.1496 10.0952 7.29868 16.1126 14.8647 6.61696 20.4659 8.91183 numMergedOcc 0
23 mol 24 unq 21 iso 0 dist 8.60554 8.44664 14.1496 10.0952 7.29868 16.1126 5.11636 5.80953 12.8213 5.69214 numMergedOcc 0
24 mol 24 unq 22 iso 0 dist 8.60554 9.44691 9.62033 14.6259 8.4051 8.75662 14.8647 6.61696 15.3807 10.1698 numMergedOcc 0
25 mol 24 unq 23 iso 0 dist 8.60554 9.44691 9.62033 14.6259 8.4051 8.75662 5.11636 5.80953 11.7489 13.6174 numMergedOcc 0
26 mol 24 unq 24 iso 0 dist 8.60554 9.44691 9.62033 10.0952 7.29868 15.8209 14.8647 6.61696 15.3807 8.91183 numMergedOcc 0
27 mol 24 unq 25 iso 0 dist 8.60554 9.44691 9.62033 10.0952 7.29868 15.8209 5.11636 5.80953 11.7489 5.69214 numMergedOcc 0
28 mol 24 unq 26 iso 0 dist 8.75662 8.4051 9.62033 14.6259 9.44691 8.60554 5.50396 9.586 9.84204 14.4081 numMergedOcc 0
29 mol 24 unq 27 iso 0 dist 8.75662 8.23446 11.342 14.6259 9.44691 17.6854 5.50396 9.586 4.44526 14.4081 numMergedOcc 0
30 mol 24 unq 28 iso 0 dist 9.44691 8.60554 9.62033 14.6259 8.75662 8.4051 14.4081 9.586 9.84204 5.50396 numMergedOcc 0
31 mol 24 unq 29 iso 0 dist 9.44691 8.44664 10.4263 14.6259 8.75662 17.8725 14.4081 9.586 19.2261 5.50396 numMergedOcc 0
32 mol 25 unq 0 iso 0 dist 6.16347 7.92503 12.7398 10.9391 7.45383 16.8925 5.63212 5.20109 13.0308 6.47509 numMergedOcc 0
33 mol 25 unq 1 iso 0 dist 7.45383 9.01548 12.6805 10.9391 6.16347 13.8469 6.47509 5.20109 12.506 5.63212 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 8.30845 8.76378 13.3504 5.88134 7.01812 10.0635 6.23008 6.59691 13.2391 4.03277 numMergedOcc 0
35 mol 135 unq 0 iso 0 dist 5.62052 7.90563 6.35752 6.57193 7.85645 8.97655 8.50814 7.28318 7.17599 3.95636 numMergedOcc 0
36 mol 135 unq 1 iso 0 dist 7.90563 5.62052 6.35752 6.57193 8.97655 7.85645 8.50814 7.17599 7.28318 3.95636 numMergedOcc 0
37 mol 135 unq 2 iso 0 dist 7.85645 8.97655 6.35752 6.57193 5.62052 7.90563 3.95636 7.28318 7.17599 8.50814 numMergedOcc 0
38 mol 135 unq 3 iso 0 dist 8.97655 7.85645 6.35752 6.57193 7.90563 5.62052 3.95636 7.17599 7.28318 8.50814 numMergedOcc 0
39 mol 170 unq 0 iso 0 dist 6.35982 7.51126 6.24983 6.52462 9.10511 13.0689 4.78249 6.47164 9.65126 4.12764 numMergedOcc 0
40 mol 171 unq 0 iso 0 dist 5.93786 8.1344 3.98338 4.91149 6.64834 9.85653 9.35703 9.34834 13.0134 8.99935 numMergedOcc 0
41 mol 171 unq 1 iso 0 dist 5.93786 8.1344 3.98338 4.91149 6.64834 9.85653 9.14311 5.74846 9.37868 7.15048 numMergedOcc 0
42 mol 171 unq 2 iso 0 dist 5.93786 8.1344 3.98338 7.31409 8.24693 6.71356 9.35703 9.34834 13.0134 14.4375 numMergedOcc 0
43 mol 171 unq 3 iso 0 dist 5.93786 8.1344 3.98338 7.31409 8.24693 6.71356 9.14311 5.74846 9.37868 13.6262 numMergedOcc 0
44 mol 171 unq 4 iso 0 dist 5.93786 8.1344 3.98338 8.07119 7.36698 11.3469 9.35703 9.34834 13.0134 4.66982 numMergedOcc 0
45 mol 171 unq 5 iso 0 dist 5.93786 8.1344 3.98338 8.07119 7.36698 11.3469 9.14311 5.74846 9.37868 3.65288 numMergedOcc 0
46 mol 171 unq 6 iso 0 dist 8.24693 6.71356 3.98338 11.6409 6.64834 9.85653 14.4375 9.34834 13.0134 8.99935 numMergedOcc 0
47 mol 171 unq 7 iso 0 dist 8.24693 6.71356 3.98338 11.6409 6.64834 9.85653 13.6262 5.74846 9.37868 7.15048 numMergedOcc 0
48 mol 171 unq 8 iso 0 dist 8.24693 6.71356 3.98338 7.31409 5.93786 8.1344 14.4375 9.34834 13.0134 9.35703 numMergedOcc 0
49 mol 171 unq 9 iso 0 dist 8.24693 6.71356 3.98338 7.31409 5.93786 8.1344 13.6262 5.74846 9.37868 9.14311 numMergedOcc 0
50 mol 171 unq 10 iso 0 dist 8.24693 6.71356 3.98338 14.1033 7.36698 11.3469 14.4375 9.34834 13.0134 4.66982 numMergedOcc 0
51 mol 171 unq 11 iso 0 dist 8.24693 6.71356 3.98338 14.1033 7.36698 11.3469 13.6262 5.74846 9.37868 3.65288 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 6.41453 5.9176 9.53592 8.85576 9.39829 10.4943 5.93724 5.99437 10.5303 5.71898 numMergedOcc 0
53 mol 181 unq 1 iso 0 dist 6.41453 5.9176 9.53592 8.85576 9.39829 10.4943 5.12833 8.4848 9.43306 5.83796 numMergedOcc 0
54 mol 195 unq 0 iso 0 dist 7.36683 6.95086 9.90317 10.7531 9.26504 14.0524 5.41635 6.22742 10.8593 6.04871 numMergedOcc 0
55 mol 227 unq 0 iso 0 dist 7.43071 5.41321 11.362 4.39704 6.02296 9.74265 5.0317 9.18728 8.91971 5.83175 numMergedOcc 0
56 mol 235 unq 0 iso 0 dist 6.21292 6.95126 10.2834 8.31875 6.36341 13.9626 10.5354 7.39085 12.9086 13.089 numMergedOcc 0
57 mol 235 unq 1 iso 0 dist 6.21292 6.95126 10.2834 4.53064 9.21736 10.076 10.5354 7.39085 12.9086 11.3865 numMergedOcc 0
58 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 10.501 7.46394 10.672 12.393 7.77765 10.0206 5.22914 numMergedOcc 0
59 mol 274 unq 1 iso 0 dist 9.45514 6.39866 10.7637 10.501 7.46394 10.672 8.87855 9.65868 8.60027 14.7507 numMergedOcc 0
60 mol 274 unq 2 iso 0 dist 9.45514 6.39866 10.7637 11.7196 8.91672 16.422 12.393 7.77765 10.0206 16.5034 numMergedOcc 0
61 mol 274 unq 3 iso 0 dist 9.45514 6.39866 10.7637 11.7196 8.91672 16.422 8.87855 9.65868 8.60027 12.5615 numMergedOcc 0
62 mol 274 unq 4 iso 0 dist 9.45514 6.39866 10.7637 6.828 7.1729 10.6913 12.393 7.77765 10.0206 10.2884 numMergedOcc 0
63 mol 274 unq 5 iso 0 dist 9.45514 6.39866 10.7637 6.828 7.1729 10.6913 8.87855 9.65868 8.60027 13.0867 numMergedOcc 0
64 mol 274 unq 6 iso 0 dist 6.39866 9.45514 10.7637 11.3308 8.52587 15.461 8.87855 8.60027 9.65868 16.9539 numMergedOcc 0
