0 mol 20 unq 0 iso 0 dist 9.14371 6.42002 12.0619 4.14436 6.09764 6.29711 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.14371 6.42002 12.0619 9.3714 9.20198 6.19906 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 9.8294 6.84974 8.71742 4.41482 8.83487 9.51336 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.47617 4.44406 6.09486 12.8271 8.95682 12.0621 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 8.07716 5.77889 8.57859 8.96904 5.65974 11.5759 numMergedOcc 0
5 mol 81 unq 1 iso 0 dist 8.07716 6.91587 11.453 8.96904 5.65974 12.8975 numMergedOcc 0
6 mol 81 unq 2 iso 0 dist 5.78829 8.22976 8.57859 4.39576 5.65974 11.5759 numMergedOcc 0
7 mol 81 unq 3 iso 0 dist 5.78829 8.9512 11.453 4.39576 5.65974 12.8975 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 8.13273 8.52059 9.82384 15.7943 9.49454 19.1607 numMergedOcc 0
9 mol 108 unq 0 iso 0 dist 5.45787 8.07863 6.98264 5.35819 9.01852 10.3914 numMergedOcc 0
10 mol 108 unq 1 iso 0 dist 5.45787 8.07863 6.98264 6.01187 9.75958 13.7974 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 4.97115 5.66536 10.1657 7.68725 6.70531 9.24732 numMergedOcc 0
12 mol 196 unq 1 iso 0 dist 7.23126 5.66536 3.98793 7.68725 6.86319 9.24732 numMergedOcc 0
13 mol 196 unq 2 iso 0 dist 7.82805 6.55775 3.98793 9.74385 6.86319 9.24732 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 9.14737 8.56661 14.465 14.372 7.50013 20.3847 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 9.14737 8.56661 14.465 14.6749 5.81233 20.1778 numMergedOcc 0
16 mol 197 unq 2 iso 0 dist 9.14737 8.56661 14.465 5.9589 6.92924 12.6726 numMergedOcc 0
17 mol 197 unq 3 iso 0 dist 9.14737 8.56661 14.465 9.27427 7.14306 16.998 numMergedOcc 0
18 mol 197 unq 4 iso 0 dist 9.14737 6.20676 10.8461 14.372 7.50013 17.3979 numMergedOcc 0
19 mol 197 unq 5 iso 0 dist 9.14737 6.20676 10.8461 14.6749 5.81233 16.5761 numMergedOcc 0
20 mol 197 unq 6 iso 0 dist 9.14737 6.20676 10.8461 5.9589 6.92924 10.3781 numMergedOcc 0
21 mol 197 unq 7 iso 0 dist 9.14737 6.20676 10.8461 9.27427 7.14306 13.363 numMergedOcc 0
22 mol 197 unq 8 iso 0 dist 9.14737 7.36576 4.91336 14.372 7.50013 12.2471 numMergedOcc 0
23 mol 197 unq 9 iso 0 dist 9.14737 7.36576 4.91336 14.6749 5.81233 10.3022 numMergedOcc 0
24 mol 197 unq 10 iso 0 dist 9.14737 7.36576 4.91336 5.9589 6.92924 8.43104 numMergedOcc 0
25 mol 197 unq 11 iso 0 dist 9.14737 7.36576 4.91336 9.27427 7.14306 9.13452 numMergedOcc 0
26 mol 240 unq 0 iso 0 dist 7.0935 8.87826 11.6095 12.7219 6.68687 16.4042 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 8.88567 9.81594 4.83983 10.9171 9.76787 5.85236 numMergedOcc 0
