0 mol 26 unq 0 iso 0 dist 8.99751 6.77783 6.15893 9.44507 4.36675 5.497 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.44507 6.77783 5.497 8.99751 4.36675 6.15893 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.30674 5.24037 6.15893 9.93814 4.36675 5.497 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.25567 4.82659 6.15893 9.63543 4.36675 5.497 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 5.66743 11.6846 7.60283 14.7787 9.51391 8.71752 numMergedOcc 0
5 mol 27 unq 1 iso 0 dist 7.42669 8.05284 7.60283 12.9828 9.51391 8.71752 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 5.31016 5.14132 6.73801 9.57818 10.1421 6.42834 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 7.69638 4.07863 9.43355 11.9788 15.8093 7.9327 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.18898 10.4617 5.39745 14.2404 6.34272 7.1539 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 8.97111 4.56139 7.36017 9.44367 6.71205 5.14819 numMergedOcc 0
10 mol 126 unq 1 iso 0 dist 8.97111 4.56139 7.36017 11.0056 10.7821 6.84245 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 6.03154 8.80709 6.98158 14.2043 10.8727 7.75012 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 5.56565 4.49984 7.41399 6.16862 4.40317 8.21165 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 5.56565 4.49984 7.41399 11.5778 8.99658 8.97945 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 5.56565 4.49984 7.41399 13.847 14.7682 9.50664 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 5.56565 4.49984 7.41399 9.94824 9.63809 6.71555 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 6.16862 4.49984 8.21165 5.56565 4.40317 7.41399 numMergedOcc 0
17 mol 133 unq 5 iso 0 dist 6.16862 4.49984 8.21165 11.5778 10.8204 8.97945 numMergedOcc 0
18 mol 133 unq 6 iso 0 dist 6.16862 4.49984 8.21165 13.847 16.3424 9.50664 numMergedOcc 0
19 mol 133 unq 7 iso 0 dist 6.16862 4.49984 8.21165 9.94824 12.3323 6.71555 numMergedOcc 0
20 mol 133 unq 8 iso 0 dist 9.70325 6.16425 8.21165 9.07839 4.40317 7.41399 numMergedOcc 0
21 mol 133 unq 9 iso 0 dist 9.70325 6.16425 8.21165 14.5011 10.8204 8.97945 numMergedOcc 0
22 mol 133 unq 10 iso 0 dist 9.70325 6.16425 8.21165 14.7752 16.3424 9.50664 numMergedOcc 0
23 mol 133 unq 11 iso 0 dist 9.70325 6.16425 8.21165 11.5961 12.3323 6.71555 numMergedOcc 0
24 mol 133 unq 12 iso 0 dist 6.42904 5.80615 6.51868 10.0298 7.33253 7.34698 numMergedOcc 0
25 mol 133 unq 13 iso 0 dist 7.31633 6.2062 7.34698 11.4454 7.33253 6.51868 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 8.30496 4.06022 8.75562 6.78469 4.27704 8.00449 numMergedOcc 0
27 mol 141 unq 1 iso 0 dist 6.78469 4.06022 8.00449 8.30496 4.27704 8.75562 numMergedOcc 0
28 mol 141 unq 2 iso 0 dist 8.01453 6.47962 8.00449 9.5805 4.27704 8.75562 numMergedOcc 0
29 mol 146 unq 0 iso 0 dist 7.13378 10.9218 9.44952 10.3083 5.54669 6.50043 numMergedOcc 0
30 mol 148 unq 0 iso 0 dist 9.80819 11.6995 9.73927 11.0479 4.32771 8.73468 numMergedOcc 0
31 mol 150 unq 0 iso 0 dist 9.81665 11.8035 9.66129 11.1963 4.39943 8.73558 numMergedOcc 0
32 mol 173 unq 0 iso 0 dist 9.38737 10.5012 8.41245 12.6042 7.69792 6.64779 numMergedOcc 0
33 mol 173 unq 1 iso 0 dist 9.51638 12.905 6.64779 16.5361 7.69792 8.41245 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 7.42278 4.65504 7.04177 7.98682 4.39517 6.26365 numMergedOcc 0
