0 mol 26 unq 0 iso 0 dist 6.42206 9.43688 4.54484 7.34549 5.3315 6.4487 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.42206 8.64424 5.29322 7.34549 5.3315 4.52042 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.66602 7.04006 4.54484 9.72289 5.3315 6.4487 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.48969 8.76177 6.1558 6.6657 5.16403 5.86727 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.7385 5.25083 5.16002 7.63534 6.35022 6.71804 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.84466 9.27407 12.7083 9.10877 12.5871 11.0971 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 9.2948 9.27407 7.44572 9.10877 13.6269 11.0971 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 5.59311 7.55581 6.70307 8.94909 14.4095 14.5299 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.22456 7.55581 11.4625 8.94909 17.145 14.5299 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 5.7232 7.55581 12.974 8.94909 5.37072 14.5299 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 5.70772 7.52211 6.97601 9.23551 10.5583 13.5764 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 7.76856 5.15834 11.8927 9.09857 10.6484 9.33911 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 8.94464 8.99149 15.6006 9.50454 9.32503 10.4974 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 8.94464 8.99149 15.6006 7.15963 13.2985 5.65167 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 8.63713 8.99149 6.84793 9.50454 8.88398 10.4974 numMergedOcc 0
15 mol 181 unq 3 iso 0 dist 8.63713 8.99149 6.84793 7.15963 4.98009 5.65167 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.45384 8.41494 8.95042 8.84116 5.40899 7.17142 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 7.45384 8.41494 8.95042 8.16369 4.94882 5.93294 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 5.30132 8.52655 8.34289 7.07723 4.57882 9.06413 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 7.79013 4.66398 5.19565 8.18588 7.20238 9.64766 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.93002 5.80603 11.3649 5.29682 6.64729 5.20592 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 8.93002 5.80603 11.3649 6.20344 9.79538 6.80302 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 8.09021 8.9413 10.5191 6.78702 5.75478 11.4819 numMergedOcc 0
