0 mol 30 unq 0 iso 0 dist 7.75901 9.41816 4.46139 9.28346 5.17518 4.43881 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 9.69775 8.5865 17.0629 9.8294 17.9599 7.71372 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 9.01202 8.5865 15.3286 9.8294 15.1668 7.71372 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 4.87767 7.92957 8.99245 9.95096 5.6601 12.3881 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 9.77304 8.29601 17.5118 6.91417 4.70362 13.7755 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 9.29989 6.25968 6.69705 8.75736 15.7012 12.0992 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 9.29989 6.25968 6.69705 6.32178 10.0029 4.8408 numMergedOcc 0
7 mol 140 unq 0 iso 0 dist 9.83976 9.16949 4.8476 6.40792 12.1389 9.7827 numMergedOcc 0
8 mol 140 unq 1 iso 0 dist 9.83976 8.65294 8.53976 6.40792 12.1389 5.80354 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.59193 9.07154 13.3635 9.37459 13.2016 14.5814 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 9.59193 9.07154 13.3635 9.0847 14.0443 16.8649 numMergedOcc 0
11 mol 152 unq 2 iso 0 dist 9.59193 9.07154 13.3635 6.00061 7.99896 12.692 numMergedOcc 0
12 mol 152 unq 3 iso 0 dist 9.59193 9.07154 13.3635 8.33302 4.89042 15.1967 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.02183 7.90753 5.15002 8.80581 5.16386 5.32364 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 8.14413 5.89811 5.02037 7.86668 5.82028 5.4508 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 9.62606 6.10085 11.0189 7.52229 5.42652 8.71371 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 6.02845 7.61854 8.84253 5.99137 9.92965 7.45579 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 9.35599 7.61854 14.1956 5.99137 13.9306 7.45579 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 8.8726 7.87577 5.27718 5.31858 9.22664 5.90131 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 8.8726 7.87577 5.27718 5.71851 13.0489 9.68064 numMergedOcc 0
20 mol 258 unq 2 iso 0 dist 8.8726 5.86702 9.46467 5.31858 9.22664 4.51422 numMergedOcc 0
21 mol 258 unq 3 iso 0 dist 8.8726 5.86702 9.46467 5.71851 13.0489 4.99997 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 5.81967 6.64109 5.51044 5.89409 8.31727 6.86214 numMergedOcc 0
23 mol 265 unq 1 iso 0 dist 9.19106 8.57593 5.51044 7.45719 8.31727 6.86214 numMergedOcc 0
