0 mol 16 unq 0 iso 0 dist 8.60935 12.0655 9.49518 5.8404 6.60918 6.25083 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.6545 5.91098 6.71884 8.04898 9.95691 10.9362 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 9.20445 12.2864 8.29508 6.87666 7.74108 5.83044 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 7.56624 10.8096 4.87767 14.9361 9.95096 5.6601 numMergedOcc 0
4 mol 71 unq 1 iso 0 dist 8.83594 5.45829 4.87767 7.15776 9.95096 5.6601 numMergedOcc 0
5 mol 110 unq 0 iso 0 dist 7.03608 12.7143 7.67702 4.31022 7.2461 12.3557 numMergedOcc 0
6 mol 110 unq 1 iso 0 dist 7.03608 12.7143 7.67702 7.33518 9.26333 11.0242 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 6.98104 10.7986 5.38954 13.0727 9.60425 6.29427 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 8.99783 13.7981 9.76171 9.19433 9.96969 8.71599 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 7.30776 8.27934 9.76171 6.08069 9.96969 8.71599 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 8.82602 11.7458 9.76171 10.121 9.96969 8.71599 numMergedOcc 0
11 mol 120 unq 3 iso 0 dist 9.91516 10.5358 9.76171 12.1485 9.96969 8.71599 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 5.51129 8.06441 7.7267 7.86921 7.00798 6.37892 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.59967 17.1974 9.29989 5.08964 8.75736 15.7012 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.59967 17.1974 9.29989 10.9353 6.32178 10.0029 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 5.79433 6.72224 8.96779 5.08964 6.76166 9.54131 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 5.79433 6.72224 8.96779 10.9353 7.2977 14.9495 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.44435 10.3445 9.59193 12.8882 9.37459 13.2016 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 9.44435 10.3445 9.59193 16.0649 9.0847 14.0443 numMergedOcc 0
19 mol 152 unq 2 iso 0 dist 9.44435 10.3445 9.59193 10.6678 6.00061 7.99896 numMergedOcc 0
20 mol 152 unq 3 iso 0 dist 9.44435 10.3445 9.59193 12.9783 8.33302 4.89042 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 5.54887 5.73453 9.4588 4.94206 8.84116 9.45235 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 5.54887 5.73453 9.4588 6.08428 8.16369 10.591 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 6.8631 12.4468 8.14413 13.0116 7.86668 5.82028 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 7.00531 8.97903 9.98753 4.8193 5.71825 7.17028 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 6.8314 7.03383 9.5831 4.94699 4.91961 6.16697 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 6.8314 7.03383 9.5831 12.5331 7.14333 16.1011 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 8.91236 15.5891 8.87598 9.13047 5.29682 6.59107 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 8.91236 15.5891 8.87598 5.07898 6.20344 11.1778 numMergedOcc 0
