0 mol 9 unq 0 iso 0 dist 6.51397 8.17151 7.47838 11.6529 11.8617 7.2707 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.51397 8.17151 7.47838 10.738 9.55673 8.99816 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.51397 8.17151 7.47838 9.99657 6.96891 5.96667 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.609 10.7721 6.95343 15.211 10.7121 8.28062 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 8.609 10.7721 6.95343 13.256 4.94076 6.90201 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.4545 10.3156 7.48658 5.62309 8.70803 9.81484 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.4545 10.3156 7.48658 7.11438 9.52327 5.77527 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 8.4545 10.3156 7.48658 13.2241 13.093 7.313 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.50322 6.00706 9.64695 6.72323 12.538 6.49688 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 5.82404 6.00706 4.51266 6.72323 4.54648 6.49688 numMergedOcc 0
10 mol 135 unq 0 iso 0 dist 9.42803 4.15989 6.67623 11.1438 10.2752 7.83735 numMergedOcc 0
11 mol 157 unq 0 iso 0 dist 6.1835 6.8427 8.97404 11.6357 7.24719 9.53818 numMergedOcc 0
12 mol 157 unq 1 iso 0 dist 6.1835 6.8427 8.97404 9.30128 8.0238 5.14587 numMergedOcc 0
13 mol 157 unq 2 iso 0 dist 6.1835 6.8427 8.97404 14.2814 15.6542 8.93257 numMergedOcc 0
14 mol 157 unq 3 iso 0 dist 6.1835 6.8427 8.97404 9.04487 6.41986 7.71842 numMergedOcc 0
15 mol 157 unq 4 iso 0 dist 6.1835 5.03038 6.8364 9.30128 8.0238 6.58984 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.84952 10.7508 8.47008 13.401 5.63555 6.2176 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 9.73892 9.49018 4.90825 13.3242 4.51687 5.80674 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 8.46319 6.41423 4.90825 10.263 4.51687 5.80674 numMergedOcc 0
19 mol 206 unq 2 iso 0 dist 9.36079 6.41423 5.52084 10.263 4.62682 5.80674 numMergedOcc 0
20 mol 206 unq 3 iso 0 dist 9.11298 5.08185 4.90825 9.7402 4.51687 5.80674 numMergedOcc 0
21 mol 206 unq 4 iso 0 dist 7.42904 5.08185 5.52084 9.7402 4.62682 5.80674 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 7.86368 11.1368 6.35438 14.6064 10.0059 9.38888 numMergedOcc 0
23 mol 244 unq 0 iso 0 dist 7.65388 8.57946 5.29811 15.8884 10.5501 7.34165 numMergedOcc 0
24 mol 244 unq 1 iso 0 dist 7.65388 8.57946 5.29811 5.79898 5.17744 6.61951 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 7.67598 11.6106 9.72168 16.6132 11.578 6.65749 numMergedOcc 0
26 mol 256 unq 1 iso 0 dist 7.67598 11.6106 9.72168 12.4604 7.7384 4.73652 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 5.73834 5.71858 8.14531 8.63176 5.63675 7.05518 numMergedOcc 0
