0 mol 12 unq 0 iso 0 dist 4.62913 8.99098 8.5421 7.8865 6.98179 8.37383 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.44542 8.99098 11.8661 7.8865 6.9065 8.37383 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 7.96306 7.88321 12.0861 5.73067 7.46414 6.31521 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.41952 7.75769 11.2457 9.55751 8.94845 7.18948 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 9.1662 9.99115 17.4753 8.94945 7.01367 14.2098 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 7.63904 8.5081 10.4942 7.26897 6.03387 10.7202 numMergedOcc 0
6 mol 175 unq 0 iso 0 dist 7.7013 9.51041 13.6249 8.58906 5.52686 12.5716 numMergedOcc 0
7 mol 229 unq 0 iso 0 dist 5.75755 9.33775 11.686 8.6537 12.696 10.8091 numMergedOcc 0
8 mol 229 unq 1 iso 0 dist 5.75755 9.33775 11.686 8.75374 11.2019 7.3983 numMergedOcc 0
9 mol 229 unq 2 iso 0 dist 5.75755 9.33775 11.686 7.10634 6.73193 5.87361 numMergedOcc 0
10 mol 229 unq 3 iso 0 dist 5.75755 9.33775 11.686 5.57702 6.44004 10.9466 numMergedOcc 0
11 mol 258 unq 0 iso 0 dist 9.52903 6.41167 5.79358 5.73834 9.78068 5.13233 numMergedOcc 0
12 mol 264 unq 0 iso 0 dist 9.67311 6.43775 5.79196 7.36905 11.6328 6.46871 numMergedOcc 0
13 mol 264 unq 1 iso 0 dist 9.67311 6.43775 5.79196 6.83408 6.28828 6.62911 numMergedOcc 0
14 mol 271 unq 0 iso 0 dist 9.80493 8.54162 12.5349 9.56149 9.63302 5.31774 numMergedOcc 0
15 mol 271 unq 1 iso 0 dist 6.75395 8.54162 7.94329 9.56149 7.30308 5.31774 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 6.28023 7.03782 9.24343 9.09967 5.7574 7.60191 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 6.28023 7.03782 9.24343 8.49076 7.23876 13.8866 numMergedOcc 0
