0 mol 15 unq 0 iso 0 dist 4.89563 7.57076 4.46295 7.38118 8.4014 9.93049 numMergedOcc 0
1 mol 113 unq 0 iso 0 dist 9.34456 9.27028 5.37655 16.2029 9.59585 7.02358 numMergedOcc 0
2 mol 113 unq 1 iso 0 dist 9.34456 9.27028 5.37655 17.3247 9.7073 11.6135 numMergedOcc 0
3 mol 113 unq 2 iso 0 dist 9.80191 6.38269 6.54263 10.3632 8.99912 4.49669 numMergedOcc 0
4 mol 113 unq 3 iso 0 dist 9.80191 7.11196 3.92558 10.3632 8.99912 5.88896 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 6.97244 5.56913 4.46691 11.3762 7.78789 9.02015 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 6.97244 5.56913 4.46691 10.2106 7.42146 11.2109 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 9.41521 8.31527 5.61274 5.79975 6.42623 7.84207 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 9.41521 8.31527 5.61274 12.8646 8.95899 8.56947 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 9.41521 7.64841 3.35803 5.79975 6.42623 6.98791 numMergedOcc 0
10 mol 120 unq 3 iso 0 dist 9.41521 7.64841 3.35803 12.8646 8.95899 11.3644 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 6.44766 9.77654 3.84862 9.62739 8.80895 11.4623 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 7.53748 8.47439 4.07587 4.18108 5.6125 5.28353 numMergedOcc 0
13 mol 266 unq 0 iso 0 dist 8.82941 7.51951 13.1885 7.79913 9.29666 12.3639 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 6.86014 7.34927 7.75371 9.69757 4.9764 7.98956 numMergedOcc 0
15 mol 277 unq 1 iso 0 dist 6.86014 7.34927 7.75371 10.2113 6.36559 5.86185 numMergedOcc 0
16 mol 277 unq 2 iso 0 dist 5.97073 7.54315 7.75371 7.55695 4.9764 7.98956 numMergedOcc 0
17 mol 277 unq 3 iso 0 dist 5.97073 7.54315 7.75371 6.26644 6.36559 5.86185 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 6.02089 7.61675 6.44735 5.92057 9.93746 13.0701 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 6.87804 7.61675 9.12345 11.4406 6.69619 15.5917 numMergedOcc 0
20 mol 292 unq 2 iso 0 dist 6.87804 7.61675 9.12345 10.8521 4.49592 13.1569 numMergedOcc 0
21 mol 292 unq 3 iso 0 dist 6.07571 4.97488 7.22011 7.86088 6.69619 11.8025 numMergedOcc 0
22 mol 292 unq 4 iso 0 dist 6.07571 4.97488 7.22011 4.34603 4.49592 8.07775 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 6.45955 7.33086 8.13925 8.3297 8.88595 13.061 numMergedOcc 0
24 mol 294 unq 1 iso 0 dist 6.45955 7.88971 12.1489 8.3297 8.88595 11.8214 numMergedOcc 0
25 mol 294 unq 2 iso 0 dist 6.45955 6.82335 6.18981 8.3297 8.88595 13.4777 numMergedOcc 0
26 mol 294 unq 3 iso 0 dist 5.71661 9.32126 8.13925 4.63586 8.88595 13.061 numMergedOcc 0
27 mol 294 unq 4 iso 0 dist 5.71661 9.38111 12.1489 4.63586 8.88595 11.8214 numMergedOcc 0
28 mol 294 unq 5 iso 0 dist 5.71661 9.14005 6.18981 4.63586 8.88595 13.4777 numMergedOcc 0
