0 mol 11 unq 0 iso 0 dist 6.49709 13.2938 6.84216 5.59847 4.10106 9.89425 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 5.32149 4.86477 9.1397 8.44727 5.67577 9.46349 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.36895 5.36021 6.40219 4.29713 7.18662 5.47447 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 7.90775 6.56529 7.51733 8.57607 4.99174 4.3439 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 7.90775 6.56529 7.51733 6.1991 4.46005 6.05855 numMergedOcc 0
5 mol 110 unq 0 iso 0 dist 7.77678 10.0513 9.10911 11.2997 8.4494 9.25023 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.70016 13.586 9.59585 11.6773 5.70579 4.30875 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.70016 5.90637 9.7073 11.6773 5.70579 8.65807 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 7.73769 11.099 8.64905 12.3347 7.39837 6.60366 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 6.28961 12.9917 9.37946 8.89822 5.7891 4.11374 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 6.28961 12.2955 9.13646 8.89822 5.7891 8.37602 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.0639 4.59453 9.65093 8.95209 11.6282 9.4366 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.57514 13.7017 9.31158 16.7486 8.97813 7.68686 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 6.11505 13.9601 9.31158 15.0907 8.97813 7.68686 numMergedOcc 0
14 mol 231 unq 0 iso 0 dist 6.02527 7.54254 7.3268 9.97367 4.15084 8.48015 numMergedOcc 0
15 mol 252 unq 0 iso 0 dist 7.91348 5.45887 8.55044 12.1154 12.2555 9.81261 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 8.53324 9.7252 7.42932 9.22453 4.40029 5.13533 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 7.23956 9.7252 4.9764 9.22453 3.97543 5.13533 numMergedOcc 0
18 mol 277 unq 2 iso 0 dist 8.66941 10.3675 7.42932 11.6275 4.40029 5.13533 numMergedOcc 0
