0 mol 24 unq 0 iso 0 dist 5.42968 9.67461 8.23075 10.6551 6.7846 5.54419 10.7171 8.6586 13.2653 9.54519 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.94343 9.67461 4.7841 10.6551 8.03955 5.54419 10.7171 13.2236 13.2653 9.54519 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.72346 5.5249 7.39848 8.06275 9.86609 8.80331 6.41579 14.8727 11.0096 8.38387 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 7.45173 5.46715 7.39848 13.5835 9.86609 8.80331 15.6613 14.8727 11.0096 8.38387 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.73501 17.6159 9.10566 13.2197 3.85805 5.93252 16.0985 10.0651 4.99283 8.2377 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.78269 4.65309 9.7073 10.1448 12.5818 5.86073 6.0355 12.94 4.36935 8.89481 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.0889 5.61914 7.53694 5.06555 5.61274 6.44653 8.75149 11.0505 6.81949 7.04864 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 8.87379 10.3931 5.39356 19.5766 12.7606 9.30299 16.1661 13.884 8.60326 9.42513 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 4.72209 4.84308 7.13783 11.1839 13.3822 7.26832 12.8784 16.1999 10.7091 5.96555 numMergedOcc 0
9 mol 235 unq 0 iso 0 dist 8.28824 6.70342 8.08965 6.45574 4.75609 5.4638 9.7911 8.1174 5.23741 8.48065 numMergedOcc 0
10 mol 265 unq 0 iso 0 dist 5.44039 4.05162 5.7944 8.49415 7.71667 8.4218 8.73438 5.8898 5.75478 9.772 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 7.73997 12.7143 7.2091 18.3414 11.3546 9.7748 12.0948 5.79925 10.8075 9.29635 numMergedOcc 0
12 mol 292 unq 0 iso 0 dist 8.06614 5.0721 4.49592 10.0145 5.99797 8.2734 4.56764 10.2196 8.04474 9.30668 numMergedOcc 0
