0 mol 17 unq 0 iso 0 dist 6.53817 9.16861 12.6863 9.78918 5.67637 13.6968 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.53817 9.16861 12.6863 6.80314 4.03817 14.9854 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 9.81769 9.16861 17.064 9.78918 9.78461 13.6968 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 9.81769 9.16861 17.064 6.80314 5.12703 14.9854 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.85305 6.72467 6.29127 8.58962 8.04976 5.48936 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 5.36645 8.80334 4.84988 6.42242 8.82805 12.8187 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 5.54343 8.61926 5.35421 9.23947 6.21578 6.90629 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 6.30103 8.15236 6.93027 7.31426 8.51055 12.8459 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.30103 8.24447 11.145 7.31426 8.51055 6.85455 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 7.48277 6.793 4.32286 9.2062 10.6281 6.34242 numMergedOcc 0
10 mol 102 unq 1 iso 0 dist 9.0361 6.793 5.498 9.2062 4.48396 6.34242 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 9.41832 5.17739 5.58533 6.58859 11.9251 6.437 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 5.44596 5.17739 4.6872 6.58859 8.5945 6.437 numMergedOcc 0
13 mol 140 unq 2 iso 0 dist 9.69069 5.17739 5.5723 6.58859 6.84624 6.437 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.01711 7.13078 5.38746 6.4751 11.5561 12.1204 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 6.01711 7.13078 5.38746 5.75085 10.844 9.67838 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 8.70197 7.33162 13.5291 8.79135 4.98294 11.8576 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 9.85951 9.49722 5.21956 8.32948 11.5838 12.8255 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.27989 9.51945 18.276 6.91534 11.169 9.56006 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 9.27989 9.51945 18.276 8.67704 14.8007 6.62818 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 6.54753 6.59786 4.89568 9.57659 10.199 7.87765 numMergedOcc 0
21 mol 273 unq 1 iso 0 dist 6.54753 6.59786 4.89568 7.8424 5.81246 6.45094 numMergedOcc 0
22 mol 273 unq 2 iso 0 dist 6.54753 7.96519 11.5447 9.57659 10.199 8.14134 numMergedOcc 0
23 mol 273 unq 3 iso 0 dist 6.54753 7.96519 11.5447 7.8424 5.81246 10.826 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 6.86342 6.34235 7.29657 6.76508 5.69992 6.36641 numMergedOcc 0
