0 mol 7 unq 0 iso 0 dist 9.96415 5.13744 8.81608 6.22892 6.88805 6.36911 14.5008 13.156 9.36807 13.2247 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.96415 5.13744 8.81608 14.5008 13.156 9.36807 6.22892 6.88805 6.36911 13.2247 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.88243 12.0778 7.03126 16.384 9.53718 9.33535 11.2558 5.61579 8.26899 7.08557 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 6.88243 12.0778 7.03126 11.2558 5.61579 8.26899 16.384 9.53718 9.33535 7.08557 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.12959 12.0704 9.4866 11.272 5.31985 6.21982 19.5833 15.4159 8.19682 10.2879 numMergedOcc 0
5 mol 76 unq 0 iso 1 dist 8.12959 12.0704 9.4866 19.5833 15.4159 8.19682 11.272 5.31985 6.21982 10.2879 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 5.20195 5.43722 5.52149 13.6135 11.5407 8.94837 9.56984 5.91192 7.77454 7.93571 numMergedOcc 0
7 mol 134 unq 0 iso 1 dist 5.20195 5.43722 5.52149 9.56984 5.91192 7.77454 13.6135 11.5407 8.94837 7.93571 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 9.70788 4.85796 7.05845 10.0841 7.63293 7.31468 8.90592 11.903 7.7056 5.72828 numMergedOcc 0
9 mol 143 unq 0 iso 1 dist 9.70788 4.85796 7.05845 8.90592 11.903 7.7056 10.0841 7.63293 7.31468 5.72828 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 5.55218 7.00069 5.36254 8.66709 7.10286 7.39644 9.91732 4.91785 7.36102 10.7616 numMergedOcc 0
11 mol 155 unq 0 iso 1 dist 5.55218 7.00069 5.36254 9.91732 4.91785 7.36102 8.66709 7.10286 7.39644 10.7616 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 6.95244 8.94838 8.62366 12.7969 12.4131 7.93331 14.545 12.5815 6.98095 4.83994 numMergedOcc 0
13 mol 173 unq 0 iso 1 dist 6.95244 8.94838 8.62366 14.545 12.5815 6.98095 12.7969 12.4131 7.93331 4.83994 numMergedOcc 0
14 mol 173 unq 1 iso 0 dist 6.95244 8.94838 8.62366 12.7969 12.4131 7.93331 9.61566 8.63452 8.31897 5.16343 numMergedOcc 0
15 mol 173 unq 1 iso 1 dist 6.95244 8.94838 8.62366 9.61566 8.63452 8.31897 12.7969 12.4131 7.93331 5.16343 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 6.95244 8.94838 8.62366 14.545 12.5815 6.98095 9.61566 8.63452 8.31897 8.17887 numMergedOcc 0
17 mol 173 unq 1 iso 1 dist 6.95244 8.94838 8.62366 9.61566 8.63452 8.31897 14.545 12.5815 6.98095 8.17887 numMergedOcc 0
18 mol 173 unq 2 iso 0 dist 6.11224 8.94838 6.52508 12.7969 6.91529 7.93331 14.545 9.44845 6.98095 4.83994 numMergedOcc 0
19 mol 173 unq 2 iso 1 dist 6.11224 8.94838 6.52508 14.545 9.44845 6.98095 12.7969 6.91529 7.93331 4.83994 numMergedOcc 0
20 mol 173 unq 3 iso 0 dist 6.11224 8.94838 6.52508 12.7969 6.91529 7.93331 9.61566 3.74688 8.31897 5.16343 numMergedOcc 0
21 mol 173 unq 3 iso 1 dist 6.11224 8.94838 6.52508 9.61566 3.74688 8.31897 12.7969 6.91529 7.93331 5.16343 numMergedOcc 0
22 mol 173 unq 3 iso 0 dist 6.11224 8.94838 6.52508 14.545 9.44845 6.98095 9.61566 3.74688 8.31897 8.17887 numMergedOcc 0
23 mol 173 unq 3 iso 1 dist 6.11224 8.94838 6.52508 9.61566 3.74688 8.31897 14.545 9.44845 6.98095 8.17887 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 8.68934 10.6553 7.36208 12.0854 5.53885 6.25105 12.332 3.95629 7.85175 5.88703 numMergedOcc 0
25 mol 234 unq 0 iso 1 dist 8.68934 10.6553 7.36208 12.332 3.95629 7.85175 12.0854 5.53885 6.25105 5.88703 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.31815 5.32456 9.38131 10.639 13.378 5.38637 10.7268 10.4966 6.55759 5.42006 numMergedOcc 0
27 mol 238 unq 0 iso 1 dist 8.31815 5.32456 9.38131 10.7268 10.4966 6.55759 10.639 13.378 5.38637 5.42006 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 8.31815 6.26991 6.85253 12.7043 5.79187 8.96531 10.7268 10.4966 7.02475 12.9854 numMergedOcc 0
29 mol 238 unq 1 iso 1 dist 8.31815 6.26991 6.85253 10.7268 10.4966 7.02475 12.7043 5.79187 8.96531 12.9854 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 8.40328 10.0667 6.23661 13.6279 10.067 7.48005 14.9752 7.09907 8.37865 12.5353 numMergedOcc 0
31 mol 259 unq 0 iso 1 dist 8.40328 10.0667 6.23661 14.9752 7.09907 8.37865 13.6279 10.067 7.48005 12.5353 numMergedOcc 0
