0 mol 10 unq 0 iso 0 dist 9.1125 9.03002 6.48748 13.4978 9.44938 12.9517 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 4.62913 7.8865 6.98179 7.57142 9.99955 10.0509 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 7.44542 7.8865 6.9065 7.57142 9.78092 10.0509 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 7.10635 5.41493 8.85978 6.07784 6.42931 4.68793 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.77421 7.51075 5.31976 9.21957 9.85982 5.57389 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 7.21809 8.91902 9.27886 14.8167 8.88417 17.1253 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 5.69055 5.47319 7.76775 12.8471 8.88417 14.5164 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 5.69055 9.8809 13.1847 12.8471 8.88417 15.5486 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 6.36357 4.99966 5.54757 4.36597 5.24823 7.55805 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 7.16287 8.7366 10.0823 11.926 7.73306 17.544 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 7.7013 8.58906 5.52686 6.623 9.30469 10.6016 numMergedOcc 0
11 mol 229 unq 0 iso 0 dist 5.75755 8.6537 12.696 5.17118 5.22312 12.776 numMergedOcc 0
12 mol 229 unq 1 iso 0 dist 5.75755 8.75374 11.2019 5.17118 5.22312 13.2981 numMergedOcc 0
13 mol 229 unq 2 iso 0 dist 5.75755 7.10634 6.73193 5.17118 5.22312 10.6008 numMergedOcc 0
14 mol 229 unq 3 iso 0 dist 5.75755 5.57702 6.44004 5.17118 5.22312 8.0007 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 8.96917 9.10633 8.4988 8.67618 7.16899 12.0593 numMergedOcc 0
16 mol 241 unq 1 iso 0 dist 8.96917 9.10633 8.4988 7.72095 9.27693 14.5069 numMergedOcc 0
17 mol 250 unq 0 iso 0 dist 9.80833 9.16048 6.44136 10.7836 9.16575 14.1908 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 8.77225 8.06955 11.1172 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 7.51446 8.12852 9.80419 5.01049 8.48012 10.3469 numMergedOcc 0
