0 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 11.7801 8.87757 5.77929 13.096 7.33728 7.45383 6.25843 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.0928 6.32132 5.04899 11.7801 8.87757 5.77929 12.7595 13.9331 9.01548 8.88938 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.51978 6.43082 6.83299 13.9555 7.21717 13.86 5.0478 4.29856 6.14538 10.7227 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 6.29383 7.38135 11.2312 16.7381 12.2861 8.30845 17.21 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 6.29383 7.38135 11.2312 20.207 15.5385 8.76378 18.3027 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 9.26343 16.4386 7.47343 10.728 7.38135 11.2312 18.8617 12.2861 8.30845 17.21 numMergedOcc 0
6 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 10.728 7.38135 11.2312 24.7909 15.5385 8.76378 18.3027 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 9.81728 9.36851 10.7293 11.5412 4.55551 6.28565 9.73158 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 8.14071 13.1328 5.83384 9.81728 9.36851 10.7293 18.6468 10.5488 7.58957 16.1714 numMergedOcc 0
9 mol 129 unq 2 iso 0 dist 8.14071 13.1328 5.83384 6.95825 4.97175 7.29399 11.5412 4.55551 6.28565 7.59327 numMergedOcc 0
10 mol 129 unq 3 iso 0 dist 8.14071 13.1328 5.83384 6.95825 4.97175 7.29399 18.6468 10.5488 7.58957 13.8117 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 10.0674 7.80532 7.41674 11.8229 5.71679 7.69991 6.40575 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 10.0674 7.80532 9.87376 11.8229 5.71679 6.23142 6.40575 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 11.7605 9.44367 5.4555 11.9646 5.71511 9.4013 8.37434 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 7.80643 6.52984 7.44554 5.95655 9.47433 11.9952 11.9646 5.71511 9.4013 14.1424 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 6.28923 6.46704 4.43096 10.1342 7.81713 6.2479 7.32087 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 6.07676 6.05039 8.03334 6.10683 6.59025 8.04639 10.1342 7.81713 6.2479 8.86197 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 6.96824 8.76337 7.63312 4.75774 5.9176 5.63555 14.3125 12.5387 5.94469 10.3104 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 6.96824 8.76337 7.63312 9.91956 6.41453 7.20191 14.3125 12.5387 5.94469 11.8933 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 9.25528 18.2027 9.1374 15.4597 8.90963 8.91338 14.9122 6.6251 6.2479 12.1629 numMergedOcc 0
20 mol 181 unq 5 iso 0 dist 9.25528 11.4901 5.98885 15.4597 8.90963 9.81073 5.6688 5.6044 9.72611 10.515 numMergedOcc 0
21 mol 181 unq 6 iso 0 dist 9.25528 11.4901 5.98885 15.4597 8.90963 9.81073 14.9122 6.6251 7.99195 12.1629 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 7.92766 7.58285 8.51516 15.254 9.68728 10.8573 6.21588 5.86489 7.32294 10.2072 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 7.36642 9.43922 7.26832 10.098 6.03688 12.4957 14.5739 10.3603 5.44002 15.3509 numMergedOcc 0
24 mol 231 unq 0 iso 0 dist 8.17766 11.3675 7.37839 6.62976 7.79066 9.0443 14.0064 6.37275 6.98875 12.7246 numMergedOcc 0
25 mol 231 unq 1 iso 0 dist 8.17766 12.5238 8.40182 6.62976 7.79066 12.1512 14.0064 6.37275 6.54852 12.7246 numMergedOcc 0
26 mol 231 unq 2 iso 0 dist 9.84965 14.0116 7.37839 5.74327 7.79066 9.0443 15.6152 6.37275 6.98875 12.7246 numMergedOcc 0
27 mol 231 unq 3 iso 0 dist 9.84965 16.7305 8.40182 5.74327 7.79066 12.1512 15.6152 6.37275 6.54852 12.7246 numMergedOcc 0
