0 mol 15 unq 0 iso 0 dist 8.83891 4.96682 9.51568 8.3794 5.20798 6.50647 6.3431 8.85174 6.67334 6.42748 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 8.83891 4.96682 9.51568 8.3794 5.20798 6.50647 9.85033 9.84471 6.29685 7.48342 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 9.83555 15.3438 8.96498 9.71705 5.26394 9.0008 5.41433 11.1957 13.2018 9.49144 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 8.40389 10.7702 5.51885 11.8114 4.08391 5.79343 15.7197 10.2365 8.88748 6.84011 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.88752 14.4059 8.55349 12.982 12.3375 8.21165 9.47995 12.5855 12.0863 9.22232 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 8.73668 13.6923 6.44575 17.8884 11.5269 8.55616 20.2072 12.4385 6.69989 7.69991 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 8.73668 13.6923 6.44575 17.8884 11.5269 8.55616 17.3184 11.0808 5.3585 6.23142 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 8.73668 13.6923 6.44575 17.8884 11.5269 8.55616 11.9734 9.1998 6.74887 9.94764 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 9.76579 12.3819 7.30954 14.3972 5.95858 7.80054 6.67469 7.02548 6.36909 9.67741 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 5.51167 7.08042 7.06851 5.24076 4.02702 7.60254 10.9775 6.02086 8.67522 7.44629 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 5.97971 5.20775 6.76746 12.2628 11.9796 7.05653 10.8374 9.01624 6.7991 5.94469 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 8.72747 8.17808 6.76746 14.6112 11.9796 7.05653 11.9541 9.01624 6.7991 5.94469 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 8.23845 5.64849 6.76746 11.2332 11.9796 7.05653 8.672 9.01624 6.7991 5.94469 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 8.76745 6.20562 7.79951 13.5381 12.8337 7.57454 12.3857 9.91384 6.43754 5.41321 numMergedOcc 0
14 mol 227 unq 1 iso 0 dist 5.77762 6.92493 7.79951 14.0842 12.8337 7.57454 10.9396 9.91384 6.43754 5.41321 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 8.34313 10.8816 6.0283 13.4795 9.85432 9.24367 14.066 10.2562 5.34838 7.23721 numMergedOcc 0
