0 mol 30 unq 0 iso 0 dist 7.45133 5.5814 10.3527 7.5925 11.1206 6.88974 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.68841 7.7978 7.18948 3.60121 7.75769 9.55751 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 7.75769 9.55751 7.18948 3.60121 5.68841 7.7978 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.18252 4.50572 11.8887 4.24815 10.1506 5.9747 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.87592 4.98864 5.19652 5.11161 8.37388 7.95871 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 8.37388 7.95871 5.19652 5.11161 5.87592 4.98864 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 8.37388 9.80286 11.5824 6.56935 12.1332 6.48328 numMergedOcc 0
7 mol 180 unq 0 iso 0 dist 9.19555 5.80441 6.93557 12.986 15.8981 9.88732 numMergedOcc 0
8 mol 180 unq 1 iso 0 dist 9.19555 5.80441 6.93557 8.49238 11.2584 5.77949 numMergedOcc 0
9 mol 180 unq 2 iso 0 dist 9.19555 5.80441 6.93557 11.8501 12.4704 8.68403 numMergedOcc 0
10 mol 212 unq 0 iso 0 dist 9.74234 8.062 9.83647 9.449 12.6164 5.87223 numMergedOcc 0
11 mol 212 unq 1 iso 0 dist 9.74234 8.062 9.83647 7.17541 11.5925 8.70011 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 13.4632 14.1717 9.51764 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 7.86364 9.86371 13.4294 3.3846 10.9803 9.13552 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 8.52954 7.08539 12.2063 13.6805 20.9226 9.11256 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 5.83646 9.94315 10.1036 5.00891 9.69906 8.59074 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 5.83646 9.94315 10.1036 10.4116 13.3899 6.2365 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 7.30582 8.40773 9.64766 10.5872 16.3629 9.18476 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 8.11437 7.15815 7.07333 7.05365 11.624 5.89502 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 9.18581 5.75596 5.52597 13.4368 13.1305 9.6898 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 7.40069 7.53641 9.38462 10.0257 15.0526 9.20416 numMergedOcc 0
