0 mol 20 unq 0 iso 0 dist 9.14371 4.14436 6.09764 7.89835 4.95725 7.14069 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.14371 4.14436 6.09764 9.94205 5.84217 8.58641 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.14371 4.14436 6.09764 9.08453 4.18921 5.99466 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 9.14371 9.3714 9.20198 9.08453 4.18921 9.07213 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.13365 10.8208 9.01567 11.6677 8.91183 6.19899 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.13365 10.8208 9.01567 10.3879 13.0212 8.49709 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.13365 13.3998 7.29868 11.6677 8.91183 6.61696 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.13365 13.3998 7.29868 13.7266 5.69214 5.80953 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 6.80849 14.1707 8.60554 20.7597 14.8647 6.61696 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 6.80849 14.1707 8.60554 11.8618 5.11636 5.80953 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 6.80849 6.3045 8.44664 6.74914 4.79736 9.98592 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 6.80849 9.47767 9.44691 17.0098 14.4081 9.586 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 6.00307 6.03478 6.16347 9.5648 5.63212 5.20109 numMergedOcc 0
13 mol 41 unq 0 iso 0 dist 9.02927 11.098 8.51663 15.3761 13.4019 6.21128 numMergedOcc 0
14 mol 91 unq 0 iso 0 dist 8.00525 5.75219 9.30539 6.64714 12.6799 8.77355 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 4.31067 9.0917 6.65501 10.877 10.4782 8.46823 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 4.31067 9.0917 6.65501 5.44426 3.9764 4.62494 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 8.29529 5.89952 8.8822 14.9063 13.9729 9.30645 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 6.47346 5.75407 4.97175 10.9423 6.16616 9.35533 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.50454 6.15536 5.9176 12.2912 10.6474 8.12266 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.50454 6.15536 5.9176 12.82 5.12833 9.43306 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 9.50454 6.15536 5.9176 9.19831 4.61184 8.59681 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 9.50454 14.7795 6.41453 14.976 5.93724 5.99437 numMergedOcc 0
23 mol 181 unq 4 iso 0 dist 9.50454 14.7795 6.41453 12.82 5.12833 8.4848 numMergedOcc 0
24 mol 181 unq 5 iso 0 dist 6.43406 11.4522 9.39829 9.45579 5.71898 5.99437 numMergedOcc 0
25 mol 181 unq 6 iso 0 dist 6.43406 11.4522 9.39829 11.3781 5.83796 8.4848 numMergedOcc 0
26 mol 181 unq 7 iso 0 dist 8.80581 10.5065 5.9176 16.4043 10.6474 8.12266 numMergedOcc 0
27 mol 181 unq 8 iso 0 dist 8.80581 10.5065 5.9176 12.9703 5.12833 9.43306 numMergedOcc 0
28 mol 181 unq 9 iso 0 dist 8.80581 10.5065 5.9176 12.3555 4.61184 8.59681 numMergedOcc 0
29 mol 181 unq 10 iso 0 dist 8.80581 6.04759 6.41453 11.369 5.93724 5.99437 numMergedOcc 0
30 mol 181 unq 11 iso 0 dist 8.80581 6.04759 6.41453 12.9703 5.12833 8.4848 numMergedOcc 0
31 mol 212 unq 0 iso 0 dist 8.13678 10.0809 8.69988 5.10392 3.9436 9.10288 numMergedOcc 0
32 mol 212 unq 1 iso 0 dist 8.13678 6.27773 8.55903 5.10392 3.9436 6.19798 numMergedOcc 0
