0 mol 0 unq 0 iso 0 dist 9.5614 7.79534 9.46298 9.40697 6.94181 12.2644 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.04834 5.36911 6.51133 9.19152 6.28033 9.9153 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.37503 8.90581 4.94076 6.78528 6.83481 10.7302 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 6.85305 8.58962 8.04976 5.84422 5.2422 10.2413 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.64208 9.42982 9.67324 6.22963 8.70949 14.3104 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 8.64208 8.17929 14.5039 6.22963 8.70949 10.6954 numMergedOcc 0
6 mol 67 unq 2 iso 0 dist 8.64208 5.63802 13.6485 6.22963 8.70949 9.67641 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 5.49623 9.22889 6.54837 6.67981 6.09906 12.3642 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.22376 9.04728 4.65335 13.7516 6.56728 9.51674 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 7.23052 9.18949 14.8831 9.2094 6.35314 16.8959 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 9.41832 6.58859 11.9251 12.2179 9.68229 17.8072 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 9.42819 6.80226 10.1865 13.5359 8.46796 17.4139 numMergedOcc 0
12 mol 174 unq 0 iso 0 dist 4.93781 9.31454 10.3406 7.64386 6.04817 14.4764 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 9.59096 6.68054 4.74713 8.43625 6.89879 8.94849 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 8.9077 7.46122 7.11498 11.9931 6.21273 7.58118 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 8.33847 8.85051 5.0515 11.8106 5.62804 10.5172 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.27989 6.91534 11.169 9.44182 6.83046 10.3846 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 9.27989 8.67704 14.8007 9.44182 6.83046 15.4193 numMergedOcc 0
18 mol 256 unq 0 iso 0 dist 8.43264 7.54955 5.28793 7.68659 5.98967 9.94144 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 8.3291 9.35929 6.11414 9.34663 8.78883 10.809 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 6.47376 9.29922 12.6502 4.77763 8.68797 5.21664 numMergedOcc 0
