0 mol 25 unq 0 iso 0 dist 5.04899 6.55597 4.69295 5.77929 8.87757 9.16515 6.47509 7.05196 8.07318 3.904 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 5.04899 7.05196 6.47509 7.33728 7.45383 5.20109 4.69295 6.55597 8.07318 4.98822 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 5.04899 7.05196 6.47509 7.33728 7.45383 5.20109 11.6045 12.3944 7.44277 5.46578 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.64443 9.36001 5.31547 13.9524 9.75237 6.59716 6.77937 12.8197 9.99441 11.7168 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.69985 8.52024 5.00433 7.74599 7.80523 7.56755 4.69373 7.07971 9.09348 5.92927 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 4.57832 6.23142 9.0176 7.41373 9.33094 8.62504 6.93712 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 6.37586 7.93372 8.06642 5.29786 6.23142 9.0176 10.8635 9.33094 8.62504 6.93712 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 9.86662 7.21868 4.00092 4.57832 9.94764 9.0176 7.41373 8.69531 8.62504 6.93712 numMergedOcc 0
8 mol 134 unq 3 iso 0 dist 9.71307 7.93372 4.00092 5.29786 9.94764 9.0176 10.8635 8.69531 8.62504 6.93712 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 5.99315 5.37047 4.78563 6.48978 7.78652 5.06564 7.39837 5.40637 9.29944 10.0079 numMergedOcc 0
10 mol 143 unq 1 iso 0 dist 5.99315 5.37047 4.78563 5.20762 8.91301 7.5373 7.39837 5.40637 9.29944 9.05366 numMergedOcc 0
11 mol 170 unq 0 iso 0 dist 9.76807 9.51256 4.78249 4.34698 6.35982 6.47164 5.7304 10.7199 8.75024 5.04147 numMergedOcc 0
12 mol 170 unq 1 iso 0 dist 9.76807 9.51256 4.78249 5.75144 7.51126 9.65126 5.7304 10.7199 8.75024 10.518 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 7.81386 9.01624 5.71898 7.20191 9.39829 5.99437 5.42158 9.81178 9.92831 6.16988 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 7.63312 9.01624 5.93724 7.20191 6.41453 5.99437 5.42158 10.6106 9.92831 6.16988 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 7.21333 5.56538 6.84862 7.75656 7.67576 8.43195 8.34852 12.0171 8.14294 6.67077 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 7.21333 7.48954 9.53117 7.75656 7.67576 8.23406 8.34852 12.0171 5.72 6.67077 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 6.35849 7.43071 9.18728 4.664 11.595 8.85955 8.62578 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 7.22101 5.23634 5.0317 6.35849 7.43071 9.18728 4.1511 9.91384 6.09335 10.5007 numMergedOcc 0
19 mol 227 unq 2 iso 0 dist 7.22101 5.23634 5.0317 10.9607 5.41321 8.91971 4.664 11.595 8.85955 15.624 numMergedOcc 0
20 mol 227 unq 3 iso 0 dist 7.22101 5.23634 5.0317 10.9607 5.41321 8.91971 4.1511 9.91384 6.09335 12.8337 numMergedOcc 0
21 mol 227 unq 4 iso 0 dist 8.65997 6.91318 5.0317 10.204 7.43071 9.18728 8.49509 11.595 8.85955 8.62578 numMergedOcc 0
22 mol 227 unq 5 iso 0 dist 8.65997 6.91318 5.0317 10.204 7.43071 9.18728 4.69247 9.91384 6.09335 10.5007 numMergedOcc 0
23 mol 227 unq 6 iso 0 dist 8.65997 6.91318 5.0317 9.72615 5.41321 8.91971 8.49509 11.595 8.85955 15.624 numMergedOcc 0
24 mol 227 unq 7 iso 0 dist 8.65997 6.91318 5.0317 9.72615 5.41321 8.91971 4.69247 9.91384 6.09335 12.8337 numMergedOcc 0
25 mol 227 unq 8 iso 0 dist 7.09863 5.23634 5.83175 6.35849 6.02296 9.18728 4.664 10.1802 8.85955 8.62578 numMergedOcc 0
26 mol 227 unq 9 iso 0 dist 7.09863 5.23634 5.83175 6.35849 6.02296 9.18728 4.1511 10.3016 6.09335 10.5007 numMergedOcc 0
27 mol 227 unq 10 iso 0 dist 7.09863 5.23634 5.83175 10.9607 9.74265 8.91971 4.664 10.1802 8.85955 15.624 numMergedOcc 0
28 mol 227 unq 11 iso 0 dist 7.09863 5.23634 5.83175 10.9607 9.74265 8.91971 4.1511 10.3016 6.09335 12.8337 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 7.70529 16.795 9.26157 3.97543 12.1398 7.16209 6.64795 numMergedOcc 0
