0 mol 68 unq 0 iso 0 dist 7.07989 7.13073 6.34966 5.79348 8.91427 6.48823 8.57904 6.74766 9.80391 7.53895 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 9.77272 13.7884 6.34966 11.1344 8.91427 6.48823 4.05011 6.74766 9.80391 7.53895 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 5.42828 8.86411 9.69961 6.84906 9.77017 4.26804 6.62328 7.80873 9.59885 7.22444 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 8.27794 5.80915 7.78223 11.393 9.35942 10.8586 14.0508 8.42878 9.76297 10.5177 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 8.27794 5.80915 7.78223 13.5888 7.42482 11.0397 14.0508 8.42878 9.76297 8.66057 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 7.6005 5.17486 6.63731 13.0273 8.79367 8.27695 10.5065 8.38606 10.0162 12.2604 numMergedOcc 0
6 mol 116 unq 1 iso 0 dist 8.7583 6.28627 6.63731 13.1111 8.79367 8.27695 14.2962 8.38606 10.0162 12.2604 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.4733 9.73554 6.13508 6.64646 9.9151 7.09096 5.73999 7.20249 5.01597 4.99495 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 7.58256 12.9239 9.53805 5.47232 5.45675 8.99916 5.98598 6.21159 8.03698 5.81211 numMergedOcc 0
9 mol 226 unq 0 iso 0 dist 7.04477 5.02367 9.61639 7.77366 6.26945 11.7881 11.378 5.70795 13.4246 6.85639 numMergedOcc 0
10 mol 232 unq 0 iso 0 dist 7.83422 8.47021 6.23146 7.65577 8.28466 8.14788 6.36084 9.8664 13.2043 12.721 numMergedOcc 0
11 mol 237 unq 0 iso 0 dist 8.42502 6.26246 5.62039 6.68355 5.06628 5.91026 3.96327 8.10254 8.50643 5.90415 numMergedOcc 0
12 mol 256 unq 0 iso 0 dist 5.66817 4.29865 7.40057 8.84384 8.89892 13.0191 7.4144 6.33496 10.7996 4.55079 numMergedOcc 0
13 mol 256 unq 1 iso 0 dist 5.66817 4.29865 7.40057 8.84384 8.89892 13.0191 3.86625 6.00636 6.82173 7.29918 numMergedOcc 0
14 mol 256 unq 2 iso 0 dist 5.66817 4.29865 7.40057 8.84384 8.89892 13.0191 11.0891 7.81448 14.0229 8.66399 numMergedOcc 0
15 mol 256 unq 3 iso 0 dist 5.66817 4.29865 7.40057 8.84384 8.89892 13.0191 11.854 8.54499 15.2736 6.4708 numMergedOcc 0
