0 mol 13 unq 0 iso 0 dist 5.99004 6.00386 7.98679 13.2798 15.907 8.00865 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 5.99004 6.00386 7.98679 11.6517 15.0129 9.11447 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 9.65051 9.78622 7.98679 14.2825 15.907 8.00865 numMergedOcc 0
3 mol 13 unq 3 iso 0 dist 9.65051 9.78622 7.98679 18.8604 15.0129 9.11447 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.7004 10.2996 6.74848 10.6968 11.553 8.42581 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 9.13116 14.262 9.63403 14.1954 11.9626 6.93364 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 9.13116 14.262 9.63403 17.8766 13.4874 6.34821 numMergedOcc 0
7 mol 44 unq 0 iso 0 dist 5.81645 5.75226 7.03307 11.9878 9.05795 9.17518 numMergedOcc 0
8 mol 44 unq 1 iso 0 dist 5.81645 5.75226 7.03307 11.27 11.814 8.21833 numMergedOcc 0
9 mol 44 unq 2 iso 0 dist 6.75026 5.75226 7.25707 11.9878 6.37181 9.17518 numMergedOcc 0
10 mol 44 unq 3 iso 0 dist 6.75026 5.75226 7.25707 11.27 7.77924 8.21833 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 8.87151 4.28426 6.40693 10.4791 7.66647 8.80104 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 6.87196 11.923 9.13191 6.16039 6.08911 6.82089 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 6.87196 11.923 9.13191 12.257 10.0581 5.38314 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 8.68243 13.082 9.79069 20.7988 15.4471 8.21476 numMergedOcc 0
15 mol 163 unq 1 iso 0 dist 8.68243 13.082 9.79069 16.6569 9.54216 7.66897 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 6.28889 11.6364 8.67745 8.52642 4.17434 7.94747 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 8.78652 5.20757 5.57779 5.57537 5.96222 6.4829 numMergedOcc 0
18 mol 210 unq 1 iso 0 dist 9.01437 5.20757 7.05649 5.57537 10.1011 6.4829 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 6.47859 5.71442 5.0804 8.5166 5.2908 7.18771 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 6.47859 5.71442 5.0804 11.48 5.91881 7.94894 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 8.80866 9.94694 7.97135 14.5623 9.5697 8.42446 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 6.12402 5.86656 7.21655 13.4211 10.6815 9.42738 numMergedOcc 0
23 mol 285 unq 0 iso 0 dist 9.23037 11.8168 6.74142 7.15795 4.39689 5.80415 numMergedOcc 0
