0 mol 26 unq 0 iso 0 dist 5.58467 6.71239 8.51396 6.02007 5.92521 8.65004 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 5.58467 6.71239 8.51396 5.41471 7.97592 5.01268 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 4.52881 8.23748 8.96839 3.93424 7.49423 8.68646 numMergedOcc 0
3 mol 165 unq 0 iso 0 dist 8.7717 9.22805 8.74203 12.7778 5.03758 8.46729 numMergedOcc 0
4 mol 165 unq 1 iso 0 dist 8.7717 9.22805 8.74203 10.5496 4.63353 8.11017 numMergedOcc 0
5 mol 165 unq 2 iso 0 dist 8.7717 13.3492 6.78432 12.7778 5.03758 4.12949 numMergedOcc 0
6 mol 165 unq 3 iso 0 dist 8.7717 13.3492 6.78432 10.5496 4.63353 8.5239 numMergedOcc 0
7 mol 165 unq 4 iso 0 dist 8.10412 7.42664 8.74203 8.08252 5.03758 8.46729 numMergedOcc 0
8 mol 165 unq 5 iso 0 dist 8.10412 7.42664 8.74203 10.7199 4.63353 8.11017 numMergedOcc 0
9 mol 165 unq 6 iso 0 dist 8.10412 5.10615 6.78432 8.08252 5.03758 4.12949 numMergedOcc 0
10 mol 165 unq 7 iso 0 dist 8.10412 5.10615 6.78432 10.7199 4.63353 8.5239 numMergedOcc 0
11 mol 185 unq 0 iso 0 dist 9.94658 9.83707 6.39437 9.05003 4.91046 5.37719 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.11273 9.04255 5.94087 8.57203 6.92364 3.52454 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.94211 8.5826 7.33624 8.73701 6.11886 9.93373 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 9.86809 4.51811 6.5546 9.68567 9.8226 10.4264 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 8.78029 10.3219 5.55434 14.1655 7.01673 5.98994 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 5.81003 5.23923 9.75866 6.04017 9.93591 5.99287 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 8.9569 7.35121 9.6169 5.84274 8.60391 9.87939 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 9.09556 12.6189 5.8374 13.9374 6.80043 6.61195 numMergedOcc 0
