0 mol 10 unq 0 iso 0 dist 9.03951 6.61479 5.59965 8.03458 11.04 9.88507 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 8.18296 4.40652 5.76024 8.15864 10.1802 9.52857 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 7.99569 4.40652 7.92714 8.15864 11.8349 9.52857 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 6.88546 12.7322 6.03257 9.99382 7.49229 8.3794 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.8073 13.8841 8.29857 17.7973 12.3426 8.50475 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 6.8073 13.8841 8.29857 15.2633 11.2238 7.66163 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 6.8073 13.8841 8.29857 20.2817 15.6905 9.48288 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 6.42242 13.5334 8.19993 14.7411 11.0606 7.1796 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 6.42242 13.5334 8.19993 19.8992 15.6648 9.16212 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 8.04272 11.6385 8.97364 15.9144 9.66932 6.65867 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 6.93893 12.671 8.66165 8.91354 5.06999 7.12701 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 7.98039 9.83193 7.14031 14.4962 12.9271 7.67564 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 7.98039 9.83193 7.14031 17.6847 12.2431 8.60103 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 4.86767 6.72133 8.42878 10.3016 9.72019 9.58855 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 8.03113 13.3662 8.38606 17.181 10.5909 8.3971 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 8.03113 13.3662 8.38606 13.5882 6.2875 6.74026 numMergedOcc 0
16 mol 116 unq 2 iso 0 dist 9.2638 10.4136 8.38606 6.53824 10.5909 8.3971 numMergedOcc 0
17 mol 116 unq 3 iso 0 dist 9.2638 10.4136 8.38606 6.61973 6.2875 6.74026 numMergedOcc 0
18 mol 128 unq 0 iso 0 dist 7.80938 5.21856 7.48321 12.6189 7.14818 9.05678 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 7.32407 5.9261 9.73158 9.52061 7.72162 6.52844 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 6.48695 5.9261 7.59327 9.52061 7.95267 6.52844 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 6.03403 5.80215 5.94379 11.7465 6.03835 8.90567 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 7.37823 8.7874 8.26288 10.4355 14.4054 8.14859 numMergedOcc 0
