0 mol 26 unq 0 iso 0 dist 6.42206 7.34549 5.3315 8.82979 11.2671 7.98005 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.42206 7.34549 5.3315 3.63999 7.89667 8.31381 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.66602 9.72289 5.3315 15.7944 11.2671 7.98005 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.66602 9.72289 5.3315 13.5789 7.89667 8.31381 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 9.49676 9.70612 16.3301 4.46801 11.9552 7.68478 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 9.49676 6.46781 11.1811 4.46801 11.9552 6.87122 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.60396 8.47617 12.7554 14.2755 13.5968 9.02471 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.61468 9.45835 7.17843 13.4907 8.48827 7.91148 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 8.61468 9.45835 7.17843 10.4533 7.14048 6.59794 numMergedOcc 0
9 mol 78 unq 2 iso 0 dist 8.61468 9.45835 7.17843 16.0314 9.53722 8.34957 numMergedOcc 0
10 mol 78 unq 3 iso 0 dist 6.27186 9.45835 4.4651 13.4907 8.03895 7.91148 numMergedOcc 0
11 mol 78 unq 4 iso 0 dist 6.27186 9.45835 4.4651 10.4533 5.68873 6.59794 numMergedOcc 0
12 mol 78 unq 5 iso 0 dist 6.27186 9.45835 4.4651 16.0314 9.84838 8.34957 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.28452 8.29529 14.0364 3.7042 7.08403 7.02367 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 8.28452 8.29529 14.0364 12.8999 15.267 9.30832 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.86691 9.05674 4.84607 5.27905 4.82356 5.78814 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 8.93916 7.4653 8.95179 3.75216 12.3949 8.39897 numMergedOcc 0
17 mol 147 unq 1 iso 0 dist 8.93916 7.95564 11.4531 3.75216 12.3949 9.03078 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.30966 9.37459 14.6591 10.6933 18.37 6.79114 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 8.30966 9.37459 14.6591 5.0146 13.1651 7.59457 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 8.30966 9.0847 12.2051 5.0146 13.1651 9.00072 numMergedOcc 0
21 mol 152 unq 3 iso 0 dist 8.30966 6.00061 9.67332 5.0146 13.1651 7.55419 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 7.45384 8.16369 4.94882 12.0957 9.14525 5.90765 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 5.76319 7.84536 4.57882 5.97525 6.10505 4.67869 numMergedOcc 0
24 mol 196 unq 1 iso 0 dist 5.30132 7.07723 4.57882 4.22321 6.10505 4.67869 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 8.92585 6.51823 10.7712 5.61713 10.0032 6.46771 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 9.83854 7.45719 5.58514 5.12694 12.6665 8.54108 numMergedOcc 0
27 mol 265 unq 1 iso 0 dist 8.09021 6.78702 5.75478 3.5393 5.8898 5.7944 numMergedOcc 0
28 mol 265 unq 2 iso 0 dist 6.98451 8.59825 5.75478 3.99477 5.8898 5.7944 numMergedOcc 0
29 mol 265 unq 3 iso 0 dist 6.98451 7.83102 9.74462 13.3937 16.6588 9.28128 numMergedOcc 0
30 mol 270 unq 0 iso 0 dist 6.55866 7.05331 5.00269 5.81979 7.97614 8.65354 numMergedOcc 0
