0 mol 10 unq 0 iso 0 dist 7.30932 14.5484 9.17574 10.4755 8.79953 6.70642 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 7.30932 10.4755 8.79953 14.5484 9.17574 6.70642 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.36742 10.4631 9.82851 12.1978 9.11311 4.36675 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 8.36742 12.1978 9.11311 10.4631 9.82851 4.36675 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.47596 4.47203 6.53981 7.11688 9.14809 5.25016 numMergedOcc 0
5 mol 44 unq 0 iso 1 dist 7.47596 7.11688 9.14809 4.47203 6.53981 5.25016 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.75075 4.90088 8.99536 7.5659 5.94317 6.07132 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 7.75075 7.5659 5.94317 4.90088 8.99536 6.07132 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 7.60619 8.89371 8.84225 9.72544 6.72546 7.21092 numMergedOcc 0
9 mol 79 unq 0 iso 1 dist 7.60619 9.72544 6.72546 8.89371 8.84225 7.21092 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.85622 6.77167 9.90672 10.5027 7.55367 12.9547 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 5.85622 10.5027 7.55367 6.77167 9.90672 12.9547 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.3873 16.7805 8.31198 17.9493 9.81349 6.26901 numMergedOcc 0
13 mol 134 unq 0 iso 1 dist 9.3873 17.9493 9.81349 16.7805 8.31198 6.26901 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 9.66726 16.2362 8.31198 19.3294 9.81349 6.26901 numMergedOcc 0
15 mol 134 unq 1 iso 1 dist 9.66726 19.3294 9.81349 16.2362 8.31198 6.26901 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 7.10869 5.81919 4.51777 7.35345 4.9606 4.39517 numMergedOcc 0
17 mol 175 unq 0 iso 1 dist 7.10869 7.35345 4.9606 5.81919 4.51777 4.39517 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 6.10013 12.9817 9.9042 10.7013 6.21262 8.42857 numMergedOcc 0
19 mol 193 unq 0 iso 1 dist 6.10013 10.7013 6.21262 12.9817 9.9042 8.42857 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 8.27988 9.83112 5.59832 11.5821 9.17562 12.0318 numMergedOcc 0
21 mol 205 unq 0 iso 1 dist 8.27988 11.5821 9.17562 9.83112 5.59832 12.0318 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.33245 10.4275 9.30639 9.86636 6.24462 6.85131 numMergedOcc 0
23 mol 222 unq 0 iso 1 dist 8.33245 9.86636 6.24462 10.4275 9.30639 6.85131 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 8.33245 10.4275 9.30639 5.78833 6.02034 6.76935 numMergedOcc 0
25 mol 222 unq 1 iso 1 dist 8.33245 5.78833 6.02034 10.4275 9.30639 6.76935 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 8.33245 9.86636 6.24462 5.78833 6.02034 4.19322 numMergedOcc 0
27 mol 222 unq 1 iso 1 dist 8.33245 5.78833 6.02034 9.86636 6.24462 4.19322 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 8.3597 5.9669 4.36333 7.26382 6.96483 6.10011 numMergedOcc 0
29 mol 256 unq 0 iso 1 dist 8.3597 7.26382 6.96483 5.9669 4.36333 6.10011 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 5.35362 10.7651 9.9444 7.41736 8.1769 17.0344 numMergedOcc 0
31 mol 278 unq 0 iso 1 dist 5.35362 7.41736 8.1769 10.7651 9.9444 17.0344 numMergedOcc 0
