0 mol 12 unq 0 iso 0 dist 8.3933 6.16894 6.6051 10.5042 6.67154 8.17618 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.36795 12.9652 8.10957 14.735 6.03847 6.30573 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 9.63863 6.91363 8.07914 7.48808 4.964 8.85347 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 8.53522 4.8523 5.52834 12.1266 4.38082 8.52254 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.17621 7.68493 8.53914 12.4099 9.09837 7.4371 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 6.31955 4.04981 7.18976 6.71293 5.1738 7.23052 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.58727 8.50536 8.8353 17.3847 16.1558 9.89098 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 8.40125 6.98552 8.27913 13.8783 8.27268 9.36307 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 7.74764 6.46011 6.72718 11.4689 5.25279 6.99623 numMergedOcc 0
9 mol 206 unq 0 iso 0 dist 7.95458 7.18271 9.42047 5.82039 4.1887 7.0119 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 9.83755 8.77825 4.36421 13.0785 7.98893 7.77535 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 7.35578 6.4634 8.57174 8.14644 13.8822 8.9077 numMergedOcc 0
12 mol 277 unq 0 iso 0 dist 8.90911 16.7779 8.15119 17.6855 10.2486 9.84188 numMergedOcc 0
13 mol 277 unq 1 iso 0 dist 8.90911 16.7779 8.15119 15.7291 7.94155 8.35794 numMergedOcc 0
14 mol 280 unq 0 iso 0 dist 7.03218 6.86456 9.76967 14.2228 18.1328 9.26066 numMergedOcc 0
15 mol 281 unq 0 iso 0 dist 5.84757 4.93146 6.58925 12.7097 9.49279 9.48968 numMergedOcc 0
16 mol 281 unq 1 iso 0 dist 5.0007 8.1531 6.58925 14.1327 9.49279 9.48968 numMergedOcc 0
17 mol 284 unq 0 iso 0 dist 8.43383 4.57881 7.66585 9.98268 7.26724 7.35866 numMergedOcc 0
18 mol 284 unq 1 iso 0 dist 8.43383 4.57881 7.66585 6.83147 5.44847 7.32482 numMergedOcc 0
19 mol 284 unq 2 iso 0 dist 8.89995 5.38165 7.74965 6.83147 4.76222 8.08993 numMergedOcc 0
20 mol 284 unq 3 iso 0 dist 8.89995 5.38165 7.74965 7.43241 13.4636 7.34344 numMergedOcc 0
