0 mol 51 unq 0 iso 0 dist 6.67213 7.01107 4.63184 5.44727 8.99612 6.64146 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.96446 4.96173 11.3522 6.7999 16.3878 6.35305 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 6.70686 4.96173 10.0591 6.7999 13.5001 6.35305 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 8.07365 6.54247 4.23405 4.90339 9.17862 7.97266 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 6.21351 6.93203 6.08084 7.84409 6.19867 7.22615 numMergedOcc 0
5 mol 96 unq 1 iso 0 dist 9.93617 8.68256 6.08084 5.68919 6.19867 7.22615 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 6.34542 9.83758 6.34994 10.1386 7.42431 6.33923 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 7.2443 6.36631 6.54263 8.94648 9.57352 9.44 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 7.2443 6.24308 3.92558 8.94648 9.57352 8.47634 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 5.06555 8.0889 5.61274 7.08572 8.20009 5.56598 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 5.06555 8.0889 5.61274 9.04066 8.14799 5.39792 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 5.06555 8.0889 5.61274 12.7217 10.7317 7.00542 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 6.71293 6.67979 9.79481 8.25225 9.5585 8.06631 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 9.66837 7.37255 7.72421 10.8539 15.1797 8.24681 numMergedOcc 0
14 mol 158 unq 1 iso 0 dist 9.66837 7.37255 7.72421 11.0831 14.1918 6.51748 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.52413 8.86574 4.04122 15.6548 7.09426 8.78251 numMergedOcc 0
16 mol 281 unq 0 iso 0 dist 9.27716 7.8046 12.8596 5.25454 7.04661 7.43535 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 7.77765 7.0445 14.5847 10.0259 15.242 7.58948 numMergedOcc 0
