0 mol 24 unq 0 iso 0 dist 8.13365 11.7903 6.85331 10.5449 6.86014 9.20254 16.9791 9.1927 7.69637 12.0295 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.32453 8.29882 4.83274 8.18176 6.97941 10.2219 9.76901 10.6009 7.48127 14.6364 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 6.53153 7.75063 9.89098 5.78974 9.91388 8.96845 15.7291 16.1558 8.8353 17.7988 numMergedOcc 0
3 mol 181 unq 0 iso 0 dist 9.50454 18.3782 9.63295 11.755 7.63312 12.5935 18.5124 9.40823 8.92801 12.8027 numMergedOcc 0
4 mol 181 unq 1 iso 0 dist 9.50454 18.3782 9.63295 11.755 7.63312 12.5935 10.6164 5.32364 9.40718 11.9989 numMergedOcc 0
5 mol 181 unq 2 iso 0 dist 8.80581 7.11843 9.63295 10.209 7.63312 12.5935 13.9262 9.40823 8.92801 12.8027 numMergedOcc 0
6 mol 181 unq 3 iso 0 dist 8.80581 7.11843 9.63295 10.209 7.63312 12.5935 7.90753 5.32364 9.40718 11.9989 numMergedOcc 0
7 mol 236 unq 0 iso 0 dist 5.99137 11.7831 6.36941 13.7629 9.81562 8.3919 7.61854 7.45579 8.63249 11.8908 numMergedOcc 0
8 mol 236 unq 1 iso 0 dist 5.99137 11.7831 6.36941 13.3575 7.68742 4.88785 7.61854 7.45579 8.63249 12.0498 numMergedOcc 0
9 mol 236 unq 2 iso 0 dist 5.99137 11.7831 6.36941 5.03598 6.27581 10.2557 7.61854 7.45579 8.63249 5.90804 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 6.92721 4.95913 9.27989 9.00069 6.16342 12.1502 12.8564 13.3838 8.48545 17.0305 numMergedOcc 0
11 mol 241 unq 0 iso 0 dist 8.18588 6.5604 6.40592 10.2076 7.4631 7.93809 5.42605 7.3737 7.26758 12.8359 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 5.31858 4.18036 7.9357 6.60345 6.42289 8.73372 5.86702 4.51422 8.70193 10.0455 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 5.31858 4.69752 8.81059 6.60345 6.42289 9.78068 7.87577 5.90131 8.10903 9.04358 numMergedOcc 0
14 mol 258 unq 2 iso 0 dist 5.31858 4.69752 8.81059 6.60345 6.42289 9.78068 5.86702 4.51422 7.25618 10.0455 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 6.68878 8.9397 9.43169 4.31412 6.05727 6.5875 11.2165 7.78464 8.88741 7.30472 numMergedOcc 0
16 mol 280 unq 0 iso 0 dist 9.0021 5.81468 9.26066 12.6862 6.53701 12.5899 14.6232 18.1328 9.76967 21.2961 numMergedOcc 0
