0 mol 30 unq 0 iso 0 dist 5.14358 7.3557 3.53018 6.06435 5.22979 8.74665 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 5.61567 8.46981 3.6458 7.27795 6.00377 9.35623 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 8.46981 5.61567 3.6458 7.27795 9.35623 6.00377 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.3505 7.34638 9.6331 11.9783 9.84703 17.5956 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 8.3505 7.34638 9.6331 7.43001 4.62494 9.84743 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 9.94704 8.30089 8.76863 4.81814 7.56755 10.5546 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 7.95999 9.67042 14.5634 7.03613 7.8929 16.6788 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 6.53559 7.90844 9.74141 4.92611 6.34626 11.4468 numMergedOcc 0
8 mol 146 unq 0 iso 0 dist 8.43651 9.79573 5.15033 6.27901 9.23136 9.80776 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 6.48993 8.77904 3.55199 4.43501 8.86449 10.4753 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 9.23064 7.30338 13.6611 4.10406 9.85438 9.42807 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 7.30338 9.23064 13.6611 4.10406 9.42807 9.85438 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.18289 6.52441 8.40937 6.33168 6.56416 6.88127 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.18289 6.26168 10.2872 6.33168 6.56416 10.1994 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 6.52441 9.18289 8.40937 6.33168 6.88127 6.56416 numMergedOcc 0
15 mol 186 unq 3 iso 0 dist 6.52441 6.26168 5.08963 6.33168 6.88127 10.1994 numMergedOcc 0
16 mol 186 unq 4 iso 0 dist 6.26168 9.18289 10.2872 5.18732 9.99396 13.8631 numMergedOcc 0
17 mol 186 unq 5 iso 0 dist 6.26168 6.52441 5.08963 5.18732 9.99396 11.309 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 7.6482 9.30803 3.68927 5.15888 8.66624 11.5018 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 8.76076 4.36496 7.12401 4.0207 8.48879 5.89591 numMergedOcc 0
20 mol 196 unq 1 iso 0 dist 8.76076 7.34995 13.9022 4.0207 8.48879 9.72376 numMergedOcc 0
21 mol 196 unq 2 iso 0 dist 4.36496 8.76076 7.12401 4.0207 5.89591 8.48879 numMergedOcc 0
22 mol 196 unq 3 iso 0 dist 4.36496 7.34995 6.81108 4.0207 5.89591 9.72376 numMergedOcc 0
23 mol 196 unq 4 iso 0 dist 7.34995 8.76076 13.9022 4.0207 9.72376 8.48879 numMergedOcc 0
24 mol 196 unq 5 iso 0 dist 7.34995 4.36496 6.81108 4.0207 9.72376 5.89591 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 9.27308 7.25438 9.25318 11.3186 9.89167 10.1785 numMergedOcc 0
