0 mol 15 unq 0 iso 0 dist 4.89563 4.98085 5.89412 4.27439 5.63041 6.88546 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.75381 10.3873 6.72833 12.1776 6.05535 5.36911 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.50987 4.95472 6.85556 10.5207 13.395 8.61491 numMergedOcc 0
3 mol 65 unq 0 iso 0 dist 9.58906 4.59764 7.90294 10.8002 5.05869 7.0386 numMergedOcc 0
4 mol 101 unq 0 iso 0 dist 7.42893 9.31844 6.98314 10.54 4.51951 7.73086 numMergedOcc 0
5 mol 105 unq 0 iso 0 dist 9.52576 4.32631 9.06288 9.89151 7.49434 9.23757 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 8.68992 9.13275 7.36698 10.1611 11.8046 6.4751 numMergedOcc 0
7 mol 197 unq 0 iso 0 dist 9.00273 15.996 7.50013 15.9925 8.58314 9.87211 numMergedOcc 0
8 mol 197 unq 1 iso 0 dist 9.00273 13.9428 5.81233 15.9925 8.58314 6.3997 numMergedOcc 0
9 mol 197 unq 2 iso 0 dist 7.19387 11.8776 7.50013 11.2486 8.58314 9.87211 numMergedOcc 0
10 mol 197 unq 3 iso 0 dist 7.19387 7.82456 5.81233 11.2486 8.58314 6.3997 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 9.65951 16.909 9.68728 25.8783 18.5654 9.46973 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 9.14829 14.2441 9.68728 23.6099 18.5654 9.46973 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 6.94983 4.03628 9.05071 12.1377 16.9877 9.25162 numMergedOcc 0
14 mol 271 unq 0 iso 0 dist 7.59727 5.88597 9.70714 10.062 9.63302 5.75889 numMergedOcc 0
15 mol 271 unq 1 iso 0 dist 7.59727 5.88597 9.70714 7.90629 7.30308 7.03848 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 8.62414 10.5063 8.00673 4.86518 4.7203 9.73172 numMergedOcc 0
17 mol 278 unq 1 iso 0 dist 6.23184 10.5063 6.62841 4.86518 6.42903 9.73172 numMergedOcc 0
