0 mol 111 unq 0 iso 0 dist 6.34542 6.87591 5.98809 9.76075 6.3561 7.24101 numMergedOcc 0
1 mol 113 unq 0 iso 0 dist 7.2443 4.8668 8.99912 10.1303 10.3188 6.13175 numMergedOcc 0
2 mol 120 unq 0 iso 0 dist 5.06555 8.14689 6.42623 6.21509 4.98499 9.43682 numMergedOcc 0
3 mol 120 unq 1 iso 0 dist 5.06555 5.74365 8.95899 6.21509 4.98499 8.0564 numMergedOcc 0
4 mol 152 unq 0 iso 0 dist 8.34839 14.1262 9.00072 24.0583 17.8807 9.981 numMergedOcc 0
5 mol 152 unq 1 iso 0 dist 8.34839 14.1262 9.00072 12.5281 5.97115 7.78215 numMergedOcc 0
6 mol 167 unq 0 iso 0 dist 6.53913 5.60897 5.36671 4.74768 8.09332 7.33178 numMergedOcc 0
7 mol 178 unq 0 iso 0 dist 8.04723 12.3914 4.72821 9.89989 4.43082 6.53017 numMergedOcc 0
8 mol 206 unq 0 iso 0 dist 5.82039 12.4707 9.4629 9.1579 6.13816 7.51798 numMergedOcc 0
9 mol 231 unq 0 iso 0 dist 6.02527 7.54254 7.3268 10.2768 6.58152 5.45266 numMergedOcc 0
10 mol 231 unq 1 iso 0 dist 6.02527 7.54254 7.3268 14.1229 9.72658 9.02803 numMergedOcc 0
11 mol 252 unq 0 iso 0 dist 7.91348 5.45887 8.55044 6.38041 5.8401 8.63893 numMergedOcc 0
12 mol 266 unq 0 iso 0 dist 6.95233 4.5731 9.29666 10.6342 11.0673 7.24165 numMergedOcc 0
13 mol 285 unq 0 iso 0 dist 9.82717 13.5711 6.71946 6.02774 6.40962 7.8605 numMergedOcc 0
14 mol 285 unq 1 iso 0 dist 8.33653 7.76515 6.71946 13.2018 6.40962 7.8605 numMergedOcc 0
15 mol 285 unq 2 iso 0 dist 6.44657 11.6832 6.71946 12.5864 6.40962 7.8605 numMergedOcc 0
