0 mol 2 unq 0 iso 0 dist 6.52386 12.506 6.35342 3.61797 6.3286 11.7849 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 6.97361 5.89399 7.88564 3.65691 8.66545 6.77491 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 8.52125 5.89399 6.78459 3.65691 6.03038 6.77491 numMergedOcc 0
3 mol 100 unq 2 iso 0 dist 8.52125 5.89399 6.78459 9.66133 9.21675 3.94305 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.79844 11.8455 6.31633 18.7027 9.08102 9.44195 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 9.79844 15.9176 7.21115 18.7027 9.08102 4.26194 numMergedOcc 0
6 mol 180 unq 0 iso 0 dist 5.43774 6.54937 8.44989 4.52289 7.95427 3.5929 numMergedOcc 0
7 mol 180 unq 1 iso 0 dist 8.31061 6.91082 8.44989 7.21323 7.95427 3.5929 numMergedOcc 0
8 mol 185 unq 0 iso 0 dist 5.40655 5.77911 8.04591 7.92822 6.39437 7.24051 numMergedOcc 0
9 mol 197 unq 0 iso 0 dist 6.50727 4.83116 9.5331 5.52807 6.04056 5.08061 numMergedOcc 0
10 mol 197 unq 1 iso 0 dist 6.50727 4.83116 9.5331 4.20442 5.5343 6.61876 numMergedOcc 0
11 mol 197 unq 2 iso 0 dist 6.50727 4.83116 9.5331 4.42558 9.64466 7.92921 numMergedOcc 0
12 mol 197 unq 3 iso 0 dist 6.50727 4.83116 9.5331 6.84976 8.8252 11.1502 numMergedOcc 0
13 mol 197 unq 4 iso 0 dist 7.84826 10.1332 9.5331 10.0758 6.04056 5.08061 numMergedOcc 0
14 mol 197 unq 5 iso 0 dist 7.84826 10.1332 9.5331 6.9944 5.5343 6.61876 numMergedOcc 0
15 mol 197 unq 6 iso 0 dist 7.84826 10.1332 9.5331 4.23731 9.64466 7.92921 numMergedOcc 0
16 mol 197 unq 7 iso 0 dist 7.84826 10.1332 9.5331 3.44524 8.8252 11.1502 numMergedOcc 0
17 mol 219 unq 0 iso 0 dist 8.62654 9.31035 9.77442 4.24863 9.93514 11.2168 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 6.74371 10.3288 9.93257 5.10432 6.16787 7.68225 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.98006 6.64729 6.77279 6.95971 7.94491 4.51538 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 5.98006 9.79538 9.58006 6.95971 7.94491 9.08426 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 6.98812 5.58514 9.59213 9.77191 5.8374 9.17045 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 7.90132 4.44211 9.53225 3.27256 5.7378 6.79513 numMergedOcc 0
