0 mol 48 unq 0 iso 0 dist 8.05728 7.40694 6.39496 6.43732 9.38206 11.8971 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.61357 8.69443 12.9966 4.07863 8.10708 5.45575 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.73908 6.88786 9.86454 3.89794 8.18002 10.008 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 5.73908 6.88786 9.86454 9.05937 7.07032 14.9178 numMergedOcc 0
4 mol 68 unq 2 iso 0 dist 6.77421 6.88786 6.30184 3.89794 9.01261 10.008 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 5.53726 9.88184 7.30364 4.43947 8.15236 13.6932 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 5.53726 9.88184 7.30364 11.8016 8.24447 12.7989 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 5.37819 5.57712 5.88809 6.68925 6.00131 8.15367 numMergedOcc 0
8 mol 101 unq 0 iso 0 dist 7.22737 5.5199 6.63446 9.59696 7.43143 11.6573 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.9962 9.63488 6.63023 11.4175 6.61636 10.1372 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.61448 9.31907 6.63023 6.2062 6.61636 10.1372 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 9.28415 6.32669 7.38452 7.03121 7.82011 9.81842 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 9.21476 6.00651 4.93993 5.81847 9.6818 6.96704 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 9.21476 8.52428 7.55402 5.81847 9.6818 11.4803 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.31333 9.89709 9.79728 9.58526 5.80433 13.0019 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 5.31333 9.89709 9.79728 11.0885 6.8285 15.9687 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 8.40718 5.67196 11.2342 7.96412 9.01377 12.5865 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 8.72578 5.89788 10.8948 6.00114 5.60554 10.6411 numMergedOcc 0
18 mol 217 unq 1 iso 0 dist 8.80103 5.89788 5.21449 9.52898 7.89936 9.96798 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 6.73794 8.78928 4.62586 9.11005 6.59786 6.8391 numMergedOcc 0
20 mol 273 unq 1 iso 0 dist 6.73794 8.78928 4.62586 13.7838 7.96519 6.06557 numMergedOcc 0
