0 mol 20 unq 0 iso 0 dist 6.73484 9.4759 4.03021 6.44693 9.14809 9.15208 numMergedOcc 0
1 mol 66 unq 0 iso 0 dist 6.90306 7.1612 10.4605 8.04639 6.64193 6.43842 numMergedOcc 0
2 mol 66 unq 1 iso 0 dist 6.90306 7.1612 10.4605 7.69019 10.2966 5.95767 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 5.3931 8.20839 8.91785 6.27528 6.08842 8.8408 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.81202 9.52282 6.19687 5.09688 8.71142 6.89762 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 5.09936 5.72494 6.35861 5.94478 6.17691 6.07628 numMergedOcc 0
6 mol 103 unq 1 iso 0 dist 5.09936 8.70106 5.56761 5.94478 6.17691 10.2138 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 6.65267 4.81596 8.53187 8.38646 13.7859 6.06241 numMergedOcc 0
8 mol 125 unq 1 iso 0 dist 6.55342 4.81596 6.65567 8.38646 12.4582 6.06241 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 9.51094 7.14447 6.40933 9.0339 10.3663 11.6877 numMergedOcc 0
10 mol 132 unq 1 iso 0 dist 9.51094 7.14447 6.40933 8.48641 9.16496 11.8999 numMergedOcc 0
11 mol 132 unq 2 iso 0 dist 9.51094 7.14447 6.40933 6.23573 8.10884 5.77316 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 5.78397 6.5782 9.61657 6.64164 5.89138 6.43506 numMergedOcc 0
13 mol 211 unq 0 iso 0 dist 7.67367 5.02094 5.28889 9.82765 7.83036 11.3877 numMergedOcc 0
14 mol 241 unq 0 iso 0 dist 5.53619 8.89382 6.5291 8.98617 5.40514 4.68085 numMergedOcc 0
15 mol 241 unq 1 iso 0 dist 5.53619 8.89382 6.5291 6.74552 4.82191 10.8729 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 6.11495 9.33299 5.62946 6.49599 4.53603 7.32419 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 6.11495 9.33299 5.62946 9.34738 7.47781 6.04412 numMergedOcc 0
18 mol 259 unq 2 iso 0 dist 6.11495 9.33299 5.62946 9.47382 11.2052 12.7868 numMergedOcc 0
19 mol 259 unq 3 iso 0 dist 6.11495 9.49732 13.9806 6.49599 4.53603 11.0067 numMergedOcc 0
20 mol 259 unq 4 iso 0 dist 6.11495 9.49732 13.9806 9.34738 7.47781 11.569 numMergedOcc 0
21 mol 259 unq 5 iso 0 dist 6.11495 9.49732 13.9806 9.47382 11.2052 6.18571 numMergedOcc 0
22 mol 276 unq 0 iso 0 dist 8.02433 8.0652 4.13053 7.11272 13.0895 11.0506 numMergedOcc 0
23 mol 276 unq 1 iso 0 dist 8.02433 8.0652 4.13053 6.24808 5.95336 5.88008 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 9.62809 9.2924 8.00249 7.1984 12.3326 6.6414 numMergedOcc 0
