0 mol 12 unq 0 iso 0 dist 6.91627 6.7002 7.8865 5.25583 4.60834 9.75368 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 7.17678 5.08122 5.47319 10.7446 4.2124 7.25721 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 9.89076 10.937 9.08307 12.8263 4.57548 9.48146 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.16344 7.32041 8.35636 14.2608 8.12468 9.64641 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 5.7232 8.76089 9.50322 17.2697 15.9933 9.1146 numMergedOcc 0
5 mol 173 unq 0 iso 0 dist 7.76856 11.3653 8.1088 12.8296 5.07225 9.80037 numMergedOcc 0
6 mol 176 unq 0 iso 0 dist 8.11904 10.6861 9.66407 10.8116 4.84752 8.93118 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 5.93515 10.7307 7.41378 10.0014 4.44971 9.4775 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 5.93515 10.7307 7.41378 10.1524 4.82806 4.71906 numMergedOcc 0
9 mol 226 unq 0 iso 0 dist 7.9801 12.195 7.117 9.67948 4.00573 5.90092 numMergedOcc 0
10 mol 236 unq 0 iso 0 dist 4.43243 5.03598 5.66569 7.61854 4.60599 5.90804 numMergedOcc 0
11 mol 236 unq 1 iso 0 dist 5.92025 5.03598 6.11137 7.61854 4.24722 5.90804 numMergedOcc 0
12 mol 244 unq 0 iso 0 dist 7.00974 9.23493 7.65388 14.8022 8.49995 9.21656 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 8.62592 6.60345 5.73834 7.87577 5.66907 9.04358 numMergedOcc 0
14 mol 271 unq 0 iso 0 dist 8.74168 4.75339 9.56149 10.5057 5.60228 9.42899 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 9.96682 4.68199 8.49076 8.95153 5.02003 8.88221 numMergedOcc 0
16 mol 274 unq 1 iso 0 dist 9.96682 4.68199 8.49076 12.1907 12.6116 9.65027 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 8.53542 4.51764 7.74162 10.7912 6.30894 9.24472 numMergedOcc 0
