0 mol 2 unq 0 iso 0 dist 9.9335 6.38677 7.37296 7.99162 11.2776 9.58976 14.3229 15.0954 9.9859 12.4493 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.9335 6.38677 7.37296 15.1169 11.0228 9.57645 14.3229 15.0954 9.9859 7.11137 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.8592 7.91041 9.67498 10.8066 15.0231 9.85726 6.94615 8.88491 8.94586 16.4469 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.96502 5.25196 8.30431 5.50504 6.32949 9.62468 13.4223 10.8154 9.32664 15.5028 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 7.47105 10.6706 7.50126 16.0647 15.9524 8.84018 13.6474 6.52556 8.70392 17.168 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 9.614 9.24302 8.78709 10.043 9.49952 6.00053 6.02094 4.38798 5.67112 7.16549 numMergedOcc 0
6 mol 199 unq 0 iso 0 dist 7.22303 5.56055 9.88917 12.3026 11.2655 8.68505 11.3696 8.14324 9.43695 5.63124 numMergedOcc 0
7 mol 199 unq 1 iso 0 dist 7.22303 10.5991 9.56785 11.9981 5.60906 9.60407 11.3696 8.14324 8.32753 5.59178 numMergedOcc 0
8 mol 227 unq 0 iso 0 dist 8.32703 5.55239 5.2851 10.4039 5.14019 9.18675 9.14775 7.15779 8.61546 10.8138 numMergedOcc 0
9 mol 227 unq 1 iso 0 dist 8.32703 5.55239 5.2851 10.4039 5.14019 9.18675 12.4584 6.10844 7.17024 9.98177 numMergedOcc 0
10 mol 227 unq 2 iso 0 dist 8.25412 5.34424 5.2851 9.66521 5.14019 9.18675 13.5511 7.15779 8.61546 10.8138 numMergedOcc 0
11 mol 227 unq 3 iso 0 dist 8.25412 5.34424 5.2851 9.66521 5.14019 9.18675 9.45021 6.10844 7.17024 9.98177 numMergedOcc 0
12 mol 277 unq 0 iso 0 dist 9.44017 13.998 8.81903 12.4086 5.28949 6.60309 14.0991 5.20184 7.88479 6.61689 numMergedOcc 0
13 mol 278 unq 0 iso 0 dist 6.03414 5.49004 8.87405 9.91518 8.66976 9.82774 6.9592 7.3159 8.20933 14.3412 numMergedOcc 0
14 mol 285 unq 0 iso 0 dist 8.17214 8.64319 4.74716 8.33653 5.93692 8.71213 8.51221 6.15563 8.7964 10.4903 numMergedOcc 0
15 mol 285 unq 1 iso 0 dist 8.17214 8.64319 4.74716 8.33653 5.93692 8.71213 12.219 5.52409 7.24072 11.2696 numMergedOcc 0
