0 mol 20 unq 0 iso 0 dist 9.14371 4.14436 6.09764 4.90613 10.9288 6.87419 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 7.1011 7.33768 6.32779 5.92191 9.67696 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 9.75927 4.37601 6.72639 13.2538 6.80796 8.9161 numMergedOcc 0
3 mol 65 unq 1 iso 0 dist 9.75927 9.13935 9.34791 13.2538 6.80796 7.31505 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 8.07716 8.96904 5.65974 7.91009 4.35132 7.27852 numMergedOcc 0
5 mol 81 unq 1 iso 0 dist 5.78829 4.39576 5.65974 4.39121 4.35132 7.27852 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 8.00525 5.75219 9.30539 8.42914 7.45926 7.42828 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 8.00525 5.75219 9.30539 8.17327 5.55005 5.98441 numMergedOcc 0
8 mol 91 unq 2 iso 0 dist 8.00525 5.75219 9.30539 9.52936 9.57561 5.45873 numMergedOcc 0
9 mol 91 unq 3 iso 0 dist 8.00525 12.8512 9.01176 8.17327 5.55005 5.61819 numMergedOcc 0
10 mol 91 unq 4 iso 0 dist 8.00525 12.8512 9.01176 9.52936 9.57561 6.97995 numMergedOcc 0
11 mol 108 unq 0 iso 0 dist 5.45787 5.35819 9.01852 10.3972 10.051 8.50992 numMergedOcc 0
12 mol 108 unq 1 iso 0 dist 5.45787 5.35819 9.01852 13.1299 15.8859 8.00008 numMergedOcc 0
13 mol 108 unq 2 iso 0 dist 5.45787 5.35819 9.01852 11.8354 14.7085 7.79698 numMergedOcc 0
14 mol 108 unq 3 iso 0 dist 5.45787 5.35819 9.01852 5.8711 4.56297 7.18748 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 8.29529 5.89952 8.8822 10.5475 6.46081 9.17878 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 9.25604 11.2214 8.73722 11.2691 4.30841 6.29351 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 4.97115 7.68725 6.70531 9.67795 6.94473 9.42877 numMergedOcc 0
18 mol 196 unq 1 iso 0 dist 7.23126 7.68725 6.86319 9.67795 12.8012 9.42877 numMergedOcc 0
19 mol 196 unq 2 iso 0 dist 7.82805 9.74385 6.86319 16.784 12.8012 9.42877 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 8.84872 9.6662 9.55668 15.0084 11.3444 9.22128 numMergedOcc 0
