0 mol 46 unq 0 iso 0 dist 9.30547 13.4254 9.27409 13.9221 8.55202 4.07933 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.60134 13.8643 7.57443 8.02989 9.42184 12.669 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 6.82522 11.756 9.49995 13.3438 9.70292 5.88327 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 6.82522 11.756 9.49995 11.578 9.59704 3.96826 numMergedOcc 0
4 mol 95 unq 2 iso 0 dist 9.89353 5.04455 9.49995 5.89506 9.70292 5.88327 numMergedOcc 0
5 mol 95 unq 3 iso 0 dist 9.89353 5.04455 9.49995 6.40728 9.59704 3.96826 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 7.92498 5.60987 5.37302 9.33696 6.12348 3.84573 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 5.32517 5.8344 8.87314 9.02609 9.67042 5.53655 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 5.32517 5.8344 8.87314 6.24319 7.95999 10.4634 numMergedOcc 0
9 mol 128 unq 2 iso 0 dist 7.04282 5.8344 9.38436 9.02609 8.77539 5.53655 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 8.47476 14.894 7.6793 11.0797 5.56446 9.84473 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 8.11268 5.50901 5.51388 9.33941 6.27683 3.95773 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 9.53702 7.55807 6.80086 11.4368 6.51523 5.3374 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 9.81938 4.79375 9.37035 11.924 7.85801 8.86693 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 5.7709 6.31156 8.80931 4.7754 8.60546 5.45812 numMergedOcc 0
15 mol 223 unq 0 iso 0 dist 7.30699 6.34447 7.81769 6.05087 9.6936 3.86668 numMergedOcc 0
16 mol 223 unq 1 iso 0 dist 9.5073 6.34447 7.66694 6.05087 9.36733 3.86668 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 9.66554 8.99056 8.37379 10.7866 9.49163 5.8463 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 8.99187 6.65048 6.68863 10.5437 5.72473 6.32259 numMergedOcc 0
