0 mol 51 unq 0 iso 0 dist 5.67627 5.46557 7.12423 13.9347 13.4355 8.55004 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 8.46313 3.88133 7.52103 4.4866 6.66385 6.71467 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.74289 3.95228 7.51075 5.68303 13.0823 5.73908 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 9.74289 3.95228 7.51075 10.4048 5.31976 6.77421 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.28058 3.98918 8.67532 9.92962 6.97502 8.09675 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.79714 3.80683 9.71952 8.09587 13.0619 7.25561 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.79714 6.77296 7.28257 8.09587 13.0619 8.97499 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 6.5136 11.2915 9.65047 16.6218 13.209 9.02302 numMergedOcc 0
8 mol 101 unq 0 iso 0 dist 7.42893 4.58154 5.22543 10.54 4.51951 7.22737 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 6.1421 12.3343 9.28278 10.2926 4.80675 7.13958 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 9.54663 10.4416 9.28278 9.83241 4.80675 7.13958 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 5.07968 6.85536 7.16386 12.9449 9.18673 8.65468 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 9.68636 12.8446 8.6537 16.5329 12.696 5.75755 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 9.89728 18.6806 9.54857 15.3515 6.18571 8.06908 numMergedOcc 0
14 mol 264 unq 0 iso 0 dist 6.66602 9.34577 6.83408 11.855 6.28828 9.67311 numMergedOcc 0
15 mol 271 unq 0 iso 0 dist 7.59727 3.76546 9.56149 7.90629 7.30308 6.75395 numMergedOcc 0
16 mol 271 unq 1 iso 0 dist 7.59727 3.76546 9.56149 10.062 9.63302 9.80493 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 6.86014 11.7966 9.29635 6.92271 5.77904 6.70414 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 5.97073 7.00586 9.29635 8.62666 5.77904 6.70414 numMergedOcc 0
19 mol 277 unq 2 iso 0 dist 6.49176 7.86614 9.29635 8.41858 5.77904 6.70414 numMergedOcc 0
