0 mol 20 unq 0 iso 0 dist 9.14371 4.71011 9.4228 4.14436 6.09764 7.3057 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.14371 4.71011 9.4228 9.3714 9.20198 13.0142 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.80849 9.69923 6.07553 14.1707 8.60554 11.3314 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.80849 9.69923 6.07553 6.3045 8.44664 7.262 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.80849 9.69923 6.07553 9.47767 9.44691 13.1723 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.80849 11.5035 6.48457 14.1707 8.60554 3.4435 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 6.80849 11.5035 6.48457 6.3045 8.44664 12.7748 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 6.80849 11.5035 6.48457 9.47767 9.44691 7.63657 numMergedOcc 0
8 mol 33 unq 0 iso 0 dist 9.8294 8.9969 5.9844 4.41482 8.83487 6.12335 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 6.13476 11.2729 8.58658 9.53962 7.21717 3.8037 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 6.56664 11.7805 9.854 6.71938 7.56205 6.71999 numMergedOcc 0
11 mol 62 unq 1 iso 0 dist 7.99003 6.89811 9.854 5.31715 7.56205 6.71999 numMergedOcc 0
12 mol 62 unq 2 iso 0 dist 9.96382 13.4591 9.854 6.76473 7.56205 6.71999 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.29529 10.1671 5.94552 5.89952 8.8822 13.1665 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 8.29529 10.1671 5.94552 5.58964 9.66219 12.3067 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 7.23126 9.74325 6.11835 7.68725 6.86319 3.68546 numMergedOcc 0
16 mol 196 unq 1 iso 0 dist 7.23126 13.0049 9.93668 7.68725 6.86319 6.56216 numMergedOcc 0
17 mol 196 unq 2 iso 0 dist 7.82805 8.87549 6.11835 9.74385 6.86319 3.68546 numMergedOcc 0
18 mol 196 unq 3 iso 0 dist 7.82805 10.4831 9.93668 9.74385 6.86319 6.56216 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 7.94694 6.84129 9.73419 8.91883 6.16414 7.87274 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 7.94694 6.84129 9.73419 8.83227 7.33701 12.04 numMergedOcc 0
21 mol 206 unq 2 iso 0 dist 7.94694 6.84129 9.73419 10.6714 8.0871 15.182 numMergedOcc 0
22 mol 206 unq 3 iso 0 dist 7.94694 14.3437 9.99824 8.91883 6.16414 6.55611 numMergedOcc 0
23 mol 206 unq 4 iso 0 dist 7.94694 14.3437 9.99824 8.83227 7.33701 7.22859 numMergedOcc 0
24 mol 206 unq 5 iso 0 dist 7.94694 14.3437 9.99824 10.6714 8.0871 9.80396 numMergedOcc 0
25 mol 206 unq 6 iso 0 dist 7.51923 6.84129 6.11803 8.91883 7.75885 7.87274 numMergedOcc 0
26 mol 240 unq 0 iso 0 dist 7.0935 9.12134 5.31041 12.7219 6.68687 6.98179 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 7.83102 13.1671 9.91497 4.40079 6.71375 13.9004 numMergedOcc 0
28 mol 265 unq 1 iso 0 dist 7.83102 13.0098 8.2179 4.40079 6.71375 10.3547 numMergedOcc 0
