0 mol 54 unq 0 iso 0 dist 9.1695 7.51978 15.6611 7.50891 8.76844 10.179 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 8.61295 8.93196 10.2544 5.92534 9.03754 14.1995 numMergedOcc 0
2 mol 81 unq 1 iso 0 dist 8.41574 8.93196 4.32473 4.73002 6.95637 7.19581 numMergedOcc 0
3 mol 132 unq 0 iso 0 dist 8.58873 9.0339 5.28089 11.5151 7.28945 5.36351 numMergedOcc 0
4 mol 132 unq 1 iso 0 dist 8.58873 8.48641 4.50065 11.5151 7.28945 9.16685 numMergedOcc 0
5 mol 132 unq 2 iso 0 dist 8.58873 6.23573 10.672 11.5151 7.28945 15.2299 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 8.91834 8.62898 11.855 5.11255 9.14184 11.0963 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 8.84061 8.6102 11.7897 5.01032 9.04803 11.1265 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 6.26373 4.93984 4.70374 11.7074 9.26916 12.7425 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 5.32056 6.64164 6.45463 6.52044 9.50912 5.72735 numMergedOcc 0
10 mol 167 unq 2 iso 0 dist 9.74227 4.93984 8.90206 13.7242 9.50912 15.5218 numMergedOcc 0
11 mol 167 unq 3 iso 0 dist 7.35339 9.73922 5.74656 5.91574 5.74367 6.85239 numMergedOcc 0
12 mol 167 unq 4 iso 0 dist 9.52659 6.64164 6.67469 6.52044 5.74367 5.72735 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 5.51558 4.71403 7.76105 9.92303 9.17692 14.2647 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.9479 7.96424 17.1899 4.87397 9.06824 10.433 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 9.9479 5.40366 12.7759 4.87397 9.06824 9.79808 numMergedOcc 0
16 mol 220 unq 2 iso 0 dist 9.9479 8.93637 10.7994 4.87397 9.06824 12.785 numMergedOcc 0
17 mol 276 unq 0 iso 0 dist 8.63212 7.11272 11.0537 5.90125 8.18835 12.6857 numMergedOcc 0
18 mol 276 unq 1 iso 0 dist 8.63212 6.24808 9.50779 5.90125 8.18835 8.75833 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 8.12646 8.27977 8.00087 14.4792 9.65535 12.0296 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 8.12646 8.27977 8.00087 9.09953 8.82519 7.83245 numMergedOcc 0
