0 mol 12 unq 0 iso 0 dist 6.91627 6.7002 7.8865 5.25583 4.60834 9.75368 5.77108 4.62913 6.98179 6.6051 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 6.91627 6.7002 7.8865 5.25583 4.60834 9.75368 8.27891 7.44542 6.9065 8.15864 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 7.17678 5.08122 5.47319 10.7446 4.2124 7.25721 12.5481 10.5634 7.88096 9.32184 numMergedOcc 0
3 mol 176 unq 0 iso 0 dist 8.11904 10.6861 9.66407 10.8116 4.84752 8.93118 5.53533 6.9705 5.17719 7.98755 numMergedOcc 0
4 mol 181 unq 0 iso 0 dist 5.93515 10.7307 7.41378 10.1524 4.82806 4.71906 14.6346 11.8366 4.681 8.92801 numMergedOcc 0
5 mol 226 unq 0 iso 0 dist 7.9801 12.195 7.117 9.67948 4.00573 5.90092 11.4862 11.34 9.00536 8.52996 numMergedOcc 0
6 mol 236 unq 0 iso 0 dist 4.43243 5.03598 5.66569 7.61854 4.60599 5.90804 11.7831 8.20542 10.2557 8.63249 numMergedOcc 0
7 mol 236 unq 1 iso 0 dist 4.43243 5.03598 5.66569 7.61854 4.60599 5.90804 8.73194 9.73914 6.49831 7.74348 numMergedOcc 0
8 mol 236 unq 2 iso 0 dist 5.92025 5.03598 6.11137 7.61854 4.24722 5.90804 11.7831 12.2537 10.2557 8.63249 numMergedOcc 0
9 mol 236 unq 3 iso 0 dist 5.92025 5.03598 6.11137 7.61854 4.24722 5.90804 8.73194 5.6568 6.49831 7.74348 numMergedOcc 0
10 mol 244 unq 0 iso 0 dist 7.00974 9.23493 7.65388 14.8022 8.49995 9.21656 18.6393 14.3026 10.5547 7.79787 numMergedOcc 0
11 mol 258 unq 0 iso 0 dist 8.62592 6.60345 5.73834 7.87577 5.66907 9.04358 4.69752 9.52903 9.78068 8.10903 numMergedOcc 0
12 mol 271 unq 0 iso 0 dist 8.74168 4.75339 9.56149 10.5057 5.60228 9.42899 8.33152 6.75395 7.30308 9.50884 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 9.96682 4.68199 8.49076 8.95153 5.02003 8.88221 7.77559 6.28023 7.23876 9.34051 numMergedOcc 0
