0 mol 67 unq 0 iso 0 dist 8.39857 5.70192 4.50024 4.31746 12.0172 9.0008 numMergedOcc 0
1 mol 114 unq 0 iso 0 dist 5.82456 6.96057 8.67095 3.88006 8.55826 6.51395 numMergedOcc 0
2 mol 130 unq 0 iso 0 dist 4.77515 6.01132 4.94874 7.94741 11.9636 9.62236 numMergedOcc 0
3 mol 130 unq 1 iso 0 dist 4.77515 6.01132 4.94874 11.7935 10.8947 6.90634 numMergedOcc 0
4 mol 146 unq 0 iso 0 dist 6.14952 9.77771 5.03111 6.27901 6.47434 6.50043 numMergedOcc 0
5 mol 146 unq 1 iso 0 dist 6.14952 9.77771 5.03111 11.2713 10.8163 9.44952 numMergedOcc 0
6 mol 155 unq 0 iso 0 dist 9.22494 7.62575 10.225 8.61147 16.3107 9.80845 numMergedOcc 0
7 mol 155 unq 1 iso 0 dist 9.22494 7.62575 10.225 5.45915 10.3558 7.55196 numMergedOcc 0
8 mol 173 unq 0 iso 0 dist 6.60418 9.56248 13.5257 7.6477 13.9632 8.41245 numMergedOcc 0
9 mol 173 unq 1 iso 0 dist 6.60418 9.56248 13.5257 5.04427 8.14167 6.64779 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 8.90161 9.15368 6.72205 13.7282 15.1918 9.06217 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 8.90161 7.96182 10.7557 13.7282 15.1918 7.13252 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 5.13534 5.83596 5.20775 11.3693 12.2628 7.05653 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 9.34265 9.554 4.3503 12.3981 11.7985 9.75763 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 9.63004 7.19662 9.76461 10.383 11.6107 9.25517 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 7.15878 5.18952 4.47004 10.2859 8.99609 8.08764 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 7.15878 5.648 7.14566 10.2859 8.99609 9.01462 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 8.6336 6.9453 4.54892 5.40441 9.18477 6.66959 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 9.58608 6.9453 12.6292 5.40441 12.5245 6.66959 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 6.91029 9.79283 6.72596 13.9497 14.7107 8.85779 numMergedOcc 0
