0 mol 20 unq 0 iso 0 dist 9.20198 6.09764 6.05053 16.5895 7.51452 12.3294 4.95725 12.4598 7.14069 19.3534 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.20198 6.09764 6.05053 16.5895 7.51452 12.3294 5.84217 13.3189 8.58641 20.464 numMergedOcc 0
2 mol 20 unq 2 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
3 mol 24 unq 0 iso 0 dist 8.70827 6.73939 15.0804 12.3067 9.12854 18.673 15.4313 22.5395 9.85784 26.5457 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.70827 6.73939 15.0804 12.3067 9.12854 18.673 14.1829 20.2392 9.87996 24.962 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.4051 8.23446 14.1082 15.5315 7.29868 20.9738 5.73029 13.2391 9.33304 19.7548 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.4051 8.23446 14.1082 15.5315 7.29868 20.9738 6.28159 12.3034 4.5711 18.9017 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 8.4051 8.23446 14.1082 15.5315 7.29868 20.9738 5.50396 9.84204 4.44526 16.5942 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 8.4051 8.23446 14.1082 14.6259 8.60554 17.6854 5.73029 13.2391 9.33304 20.2408 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 8.4051 8.23446 14.1082 14.6259 8.60554 17.6854 6.28159 12.3034 4.5711 17.9455 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 8.4051 8.23446 14.1082 14.6259 8.60554 17.6854 5.50396 9.84204 4.44526 14.4081 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 8.4051 8.75662 9.62033 15.5315 7.29868 15.8209 5.50396 9.84204 9.586 16.5942 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 8.4051 8.75662 9.62033 14.6259 8.60554 9.44691 5.50396 9.84204 9.586 14.4081 numMergedOcc 0
13 mol 24 unq 10 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
14 mol 24 unq 11 iso 0 dist 7.29868 9.01567 6.16544 15.5315 8.4051 9.83002 13.0212 12.9064 8.49709 15.2259 numMergedOcc 0
15 mol 24 unq 12 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
16 mol 24 unq 13 iso 0 dist 7.29868 9.01567 6.16544 10.0952 8.60554 13.4393 13.0212 12.9064 8.49709 20.7962 numMergedOcc 0
17 mol 24 unq 14 iso 0 dist 8.60554 8.44664 14.1496 14.6259 8.4051 17.8725 4.79736 13.0764 9.98592 19.0719 numMergedOcc 0
18 mol 24 unq 15 iso 0 dist 8.60554 8.44664 14.1496 10.0952 7.29868 16.1126 4.79736 13.0764 9.98592 13.0134 numMergedOcc 0
19 mol 24 unq 16 iso 0 dist 8.60554 9.44691 9.62033 14.6259 8.4051 8.75662 14.4081 9.84204 9.586 5.50396 numMergedOcc 0
20 mol 24 unq 17 iso 0 dist 8.60554 9.44691 9.62033 10.0952 7.29868 15.8209 14.4081 9.84204 9.586 16.5942 numMergedOcc 0
21 mol 24 unq 18 iso 0 dist 8.75662 8.4051 9.62033 14.6259 9.44691 8.60554 10.1698 15.3807 6.61696 14.8647 numMergedOcc 0
22 mol 24 unq 19 iso 0 dist 8.75662 8.4051 9.62033 14.6259 9.44691 8.60554 13.6174 11.7489 5.80953 5.11636 numMergedOcc 0
23 mol 24 unq 20 iso 0 dist 8.75662 8.23446 11.342 14.6259 9.44691 17.6854 5.73029 14.1221 9.33304 20.2408 numMergedOcc 0
24 mol 24 unq 21 iso 0 dist 8.75662 8.23446 11.342 14.6259 9.44691 17.6854 6.28159 12.6707 4.5711 17.9455 numMergedOcc 0
25 mol 24 unq 22 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
26 mol 24 unq 23 iso 0 dist 9.44691 8.60554 9.62033 14.6259 8.75662 8.4051 14.8647 15.3807 6.61696 10.1698 numMergedOcc 0
27 mol 24 unq 24 iso 0 dist 9.44691 8.60554 9.62033 14.6259 8.75662 8.4051 5.11636 11.7489 5.80953 13.6174 numMergedOcc 0
28 mol 24 unq 25 iso 0 dist 9.44691 8.44664 10.4263 14.6259 8.75662 17.8725 4.79736 13.2105 9.98592 19.0719 numMergedOcc 0
29 mol 25 unq 0 iso 0 dist 7.92503 6.16347 12.7398 10.6808 8.6653 16.0183 5.63212 13.0308 5.20109 15.8541 numMergedOcc 0
30 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
31 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
32 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
33 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
34 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
35 mol 171 unq 0 iso 0 dist 8.1344 5.93786 3.98338 7.31409 6.71356 8.24693 9.35703 13.0134 9.34834 14.4375 numMergedOcc 0
36 mol 171 unq 1 iso 0 dist 8.1344 5.93786 3.98338 7.31409 6.71356 8.24693 9.14311 9.37868 5.74846 13.6262 numMergedOcc 0
37 mol 171 unq 2 iso 0 dist 6.71356 8.24693 3.98338 7.31409 8.1344 5.93786 14.4375 13.0134 9.34834 9.35703 numMergedOcc 0
38 mol 171 unq 3 iso 0 dist 6.71356 8.24693 3.98338 7.31409 8.1344 5.93786 13.6262 9.37868 5.74846 9.14311 numMergedOcc 0
39 mol 181 unq 0 iso 0 dist 6.41453 5.9176 9.53592 8.85576 9.39829 10.4943 10.6474 12.6232 8.12266 6.8757 numMergedOcc 0
40 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
41 mol 181 unq 2 iso 0 dist 6.41453 5.9176 9.53592 8.85576 9.39829 10.4943 4.61184 10.6525 8.59681 11.3203 numMergedOcc 0
42 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
43 mol 235 unq 0 iso 0 dist 6.95126 6.21292 10.2834 9.89669 9.55668 16.0017 10.5354 12.9086 7.39085 19.2582 numMergedOcc 0
44 mol 274 unq 0 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
45 mol 274 unq 1 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
46 mol 274 unq 2 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
47 mol 274 unq 3 iso 0 dist 6.39866 9.45514 10.7637 11.3308 8.52587 15.461 12.393 10.0206 7.77765 11.4471 numMergedOcc 0
48 mol 274 unq 4 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
