0 mol 27 unq 0 iso 0 dist 7.57797 9.11084 11.268 12.0526 9.75252 18.5257 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 7.57797 9.11084 11.268 7.34574 5.27118 13.0426 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 6.94532 9.11084 5.40134 7.34574 8.16102 13.0426 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.50287 7.01149 7.50891 6.10172 7.18148 6.89022 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 5.3931 7.91401 6.88288 4.29847 8.93477 9.60811 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 5.3931 8.68643 4.7339 4.29847 8.93477 10.7659 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 6.83169 7.0847 7.68784 7.20975 6.72584 12.6177 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 6.83169 7.0847 7.68784 11.1065 7.25594 14.5317 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 8.07172 5.8981 7.68784 11.7887 6.72584 12.6177 numMergedOcc 0
9 mol 83 unq 3 iso 0 dist 8.07172 5.8981 7.68784 12.5763 7.25594 14.5317 numMergedOcc 0
10 mol 83 unq 4 iso 0 dist 7.8627 8.57448 8.5715 11.0783 6.72584 12.135 numMergedOcc 0
11 mol 83 unq 5 iso 0 dist 7.8627 8.57448 8.5715 6.48431 7.25594 10.6828 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 5.78397 9.08844 6.52044 15.1021 9.5648 9.87581 numMergedOcc 0
13 mol 167 unq 1 iso 0 dist 5.36359 9.08844 13.7242 4.0116 7.33483 11.4225 numMergedOcc 0
14 mol 276 unq 0 iso 0 dist 8.02433 8.34851 5.90125 16.5235 9.97709 11.3055 numMergedOcc 0
15 mol 284 unq 0 iso 0 dist 6.1324 7.42007 5.78192 8.82223 4.69611 10.1895 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.39418 7.17626 13.3493 4.73745 6.17759 11.8311 numMergedOcc 0
17 mol 287 unq 1 iso 0 dist 7.39418 7.17626 13.3493 4.16431 8.20391 10.1087 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 7.39418 7.17626 13.3493 4.73745 6.17759 11.8311 numMergedOcc 0
19 mol 288 unq 1 iso 0 dist 7.39418 7.17626 13.3493 4.16431 8.20391 10.1087 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.39418 7.17626 13.3493 4.73745 6.17759 11.8311 numMergedOcc 0
21 mol 289 unq 1 iso 0 dist 7.39418 7.17626 13.3493 4.16431 8.20391 10.1087 numMergedOcc 0
