0 mol 43 unq 0 iso 0 dist 6.61704 4.64617 8.03914 11.4718 7.70908 9.50614 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.61704 4.64617 8.03914 12.8911 15.2015 8.34145 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 8.23618 13.362 6.54758 22.035 14.134 9.47401 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.71596 4.43742 8.5069 9.78762 8.66335 9.08825 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.17909 7.13056 6.88696 10.9702 5.96497 7.31064 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 9.37708 8.58795 6.88696 7.77418 5.96497 7.31064 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.74763 10.4659 6.98077 16.9599 10.3696 7.5573 numMergedOcc 0
7 mol 170 unq 0 iso 0 dist 5.94075 5.37396 8.95292 13.1223 13.0899 8.75024 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.09373 12.1879 9.82338 16.1419 9.33116 8.5672 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 8.09373 9.09562 7.99933 8.41456 5.32701 5.67168 numMergedOcc 0
10 mol 186 unq 2 iso 0 dist 8.40343 9.00121 7.7734 8.56602 5.21837 5.67168 numMergedOcc 0
11 mol 186 unq 3 iso 0 dist 8.40343 9.00121 7.7734 12.6246 5.52154 7.74579 numMergedOcc 0
12 mol 186 unq 4 iso 0 dist 8.40343 9.00121 7.7734 13.1468 7.51045 5.86483 numMergedOcc 0
13 mol 207 unq 0 iso 0 dist 4.55528 6.68112 6.06003 8.01415 4.43093 4.76113 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 7.52696 7.4921 4.36956 6.50932 5.39025 6.03081 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 7.52696 7.4921 4.36956 10.0621 4.3433 5.1874 numMergedOcc 0
16 mol 235 unq 2 iso 0 dist 7.52696 4.7126 8.43799 6.50932 5.39025 7.41433 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 9.42812 17.13 8.18813 22.0372 13.3706 7.16209 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 9.42812 17.13 8.18813 21.1849 12.1739 4.62936 numMergedOcc 0
