0 mol 33 unq 0 iso 0 dist 8.5865 9.8294 7.71372 13.7035 7.26522 8.00177 numMergedOcc 0
1 mol 65 unq 0 iso 0 dist 8.7647 9.75927 8.52876 10.0795 13.2836 9.14931 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 9.25941 6.19867 13.3443 9.3456 17.8988 5.92032 numMergedOcc 0
3 mol 96 unq 1 iso 0 dist 8.40684 8.35452 11.1777 5.93362 10.3036 5.92032 numMergedOcc 0
4 mol 140 unq 0 iso 0 dist 9.16949 6.40792 9.7827 6.8108 13.7702 5.39064 numMergedOcc 0
5 mol 140 unq 1 iso 0 dist 8.65294 6.40792 5.80354 6.8108 10.6238 5.39064 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 9.89646 9.23551 10.2089 5.78019 12.3785 6.28351 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.07154 9.37459 14.5814 13.8158 16.5622 8.35555 numMergedOcc 0
8 mol 183 unq 0 iso 0 dist 6.23903 9.09322 8.16006 6.87933 11.368 8.54827 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 9.83024 5.5581 6.21569 6.7132 13.369 8.0144 numMergedOcc 0
10 mol 236 unq 0 iso 0 dist 7.61854 5.99137 7.45579 10.968 5.6241 8.50331 numMergedOcc 0
11 mol 240 unq 0 iso 0 dist 8.24704 7.0935 5.36005 3.38705 8.67485 9.47583 numMergedOcc 0
12 mol 240 unq 1 iso 0 dist 8.24704 7.12912 4.4564 3.38705 8.67485 8.44909 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 7.87577 5.31858 5.90131 11.0804 12.869 7.99477 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 7.87577 5.31858 5.90131 6.65689 12.8643 7.86627 numMergedOcc 0
15 mol 258 unq 2 iso 0 dist 7.87577 5.71851 9.68064 6.65689 12.8643 7.93574 numMergedOcc 0
16 mol 258 unq 3 iso 0 dist 5.86702 5.31858 4.51422 11.0804 12.3875 7.99477 numMergedOcc 0
17 mol 258 unq 4 iso 0 dist 5.86702 5.31858 4.51422 6.65689 10.8981 7.86627 numMergedOcc 0
18 mol 258 unq 5 iso 0 dist 5.86702 5.71851 4.99997 6.65689 10.8981 7.93574 numMergedOcc 0
