0 mol 0 unq 0 iso 0 dist 9.89568 4.80868 6.8892 10.296 5.85361 5.55156 10.2828 11.788 7.1599 7.15528 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.08536 16.6438 7.69637 15.7396 9.1927 6.85331 18.5485 12.0295 9.20254 6.86014 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 7.85826 7.26196 5.66803 10.0975 5.9853 5.54343 11.8242 9.21546 5.59762 9.67592 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.93939 16.0604 8.90896 10.7814 4.78435 5.79954 16.3165 11.6724 12.8388 9.96396 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.93939 16.0604 8.90896 10.7814 4.78435 5.79954 17.9827 14.5091 9.65653 9.75218 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.93939 16.0604 8.90896 10.7814 4.78435 5.79954 5.78226 10.2786 14.1415 9.38498 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.63813 11.1941 7.48127 15.3417 10.6009 4.83274 17.7736 14.6364 10.2219 6.97941 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 7.90753 7.11843 9.40718 8.80581 5.32364 9.63295 10.209 11.9989 12.5935 7.63312 numMergedOcc 0
8 mol 236 unq 0 iso 0 dist 7.61854 11.7831 8.63249 11.0371 13.6195 9.97357 13.7629 11.8908 8.3919 8.03456 numMergedOcc 0
9 mol 236 unq 1 iso 0 dist 7.61854 11.7831 8.63249 11.0371 13.6195 9.97357 13.3575 12.0498 4.88785 6.84306 numMergedOcc 0
10 mol 236 unq 2 iso 0 dist 7.61854 11.7831 8.63249 11.0371 13.6195 9.97357 5.03598 5.90804 10.2557 9.99038 numMergedOcc 0
11 mol 236 unq 3 iso 0 dist 7.61854 11.7831 8.63249 11.0371 13.6195 9.97357 15.1659 15.4854 14.6755 9.78037 numMergedOcc 0
12 mol 236 unq 4 iso 0 dist 7.61854 11.7831 8.63249 11.0371 13.6195 9.97357 10.2037 16.1665 16.5918 8.35971 numMergedOcc 0
13 mol 236 unq 5 iso 0 dist 7.61854 11.7831 8.63249 5.99137 7.45579 6.36941 13.7629 11.8908 8.3919 9.81562 numMergedOcc 0
14 mol 236 unq 6 iso 0 dist 7.61854 11.7831 8.63249 5.99137 7.45579 6.36941 13.3575 12.0498 4.88785 7.68742 numMergedOcc 0
15 mol 236 unq 7 iso 0 dist 7.61854 11.7831 8.63249 5.99137 7.45579 6.36941 5.03598 5.90804 10.2557 6.27581 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 5.42605 6.5604 7.26758 8.18588 7.3737 6.40592 10.2076 12.8359 7.93809 7.4631 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 7.87577 4.69752 8.10903 5.31858 5.90131 8.81059 6.60345 9.04358 9.78068 6.42289 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 5.86702 4.18036 8.70193 5.31858 4.51422 7.9357 6.60345 10.0455 8.73372 6.42289 numMergedOcc 0
19 mol 258 unq 2 iso 0 dist 5.86702 4.69752 7.25618 5.31858 4.51422 8.81059 6.60345 10.0455 9.78068 6.42289 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 8.54653 6.25509 9.76967 14.997 18.1328 9.26066 16.6765 21.2961 12.5899 6.53701 numMergedOcc 0
21 mol 280 unq 1 iso 0 dist 8.71581 7.74111 9.76967 12.5446 18.1328 9.26066 14.3313 21.2961 12.5899 6.53701 numMergedOcc 0
22 mol 280 unq 2 iso 0 dist 9.79817 13.8226 9.76967 19.0085 18.1328 9.26066 20.1119 21.2961 12.5899 6.53701 numMergedOcc 0
