0 mol 33 unq 0 iso 0 dist 5.2746 4.77227 7.26522 5.62472 8.00177 7.71372 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 5.2746 7.07421 8.7979 5.62472 8.00177 7.83082 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 6.78356 4.85596 9.78177 14.6957 8.63486 18.2661 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 6.78356 12.282 7.03635 14.6957 8.63486 10.6193 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.91206 10.7405 8.39494 12.3394 8.03303 5.4527 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.67513 11.5055 8.39494 14.4506 8.03303 5.4527 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.08671 8.55838 8.71813 13.2962 8.67766 9.09837 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 9.08671 8.55838 8.71813 10.223 8.0831 10.9676 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 7.73842 5.50163 5.5606 5.24877 6.34525 4.77991 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 4.83761 6.05119 7.28496 8.39675 8.97264 4.97215 numMergedOcc 0
10 mol 124 unq 1 iso 0 dist 4.83761 6.05119 7.28496 10.3233 8.80896 9.28205 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 7.24115 7.70151 6.64084 13.5328 7.88319 9.91097 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 5.46768 5.44336 7.92844 7.00308 6.60567 9.70055 numMergedOcc 0
13 mol 195 unq 1 iso 0 dist 5.46768 5.44336 7.92844 5.34788 7.62942 9.9116 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 9.05206 12.1997 5.6524 8.99603 7.63018 5.92474 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 8.91471 14.0805 5.96047 13.193 7.05523 7.98893 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 8.91471 14.0805 5.96047 3.99247 8.46327 14.3395 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 9.04499 4.98993 5.98014 15.0199 9.2581 10.6512 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 9.04499 4.98993 5.98014 8.88 9.62632 5.03763 numMergedOcc 0
19 mol 222 unq 2 iso 0 dist 9.04499 4.98993 5.98014 5.68063 7.862 4.81992 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 9.93731 5.0063 6.32364 15.2252 9.4811 12.2535 numMergedOcc 0
21 mol 237 unq 1 iso 0 dist 9.93731 5.0063 6.32364 7.3235 6.50471 5.61566 numMergedOcc 0
22 mol 237 unq 2 iso 0 dist 7.68769 6.54137 7.61091 9.81634 7.42587 12.5237 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 8.84798 17.447 9.56438 13.8061 8.29305 10.3409 numMergedOcc 0
24 mol 279 unq 1 iso 0 dist 8.84798 17.447 9.56438 7.7504 6.43341 12.3922 numMergedOcc 0
