0 mol 10 unq 0 iso 0 dist 6.74091 11.5708 9.56259 7.75994 9.96463 11.9348 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 8.15498 5.10579 9.68172 4.95723 9.3651 6.92239 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 8.15498 5.04354 9.42442 4.95723 9.3651 8.97103 numMergedOcc 0
3 mol 11 unq 2 iso 0 dist 9.13662 14.2462 9.68172 9.54175 9.3651 6.92239 numMergedOcc 0
4 mol 11 unq 3 iso 0 dist 9.13662 8.47973 9.42442 9.54175 9.3651 8.97103 numMergedOcc 0
5 mol 11 unq 4 iso 0 dist 6.77845 9.47857 9.68172 6.83996 9.3651 6.92239 numMergedOcc 0
6 mol 11 unq 5 iso 0 dist 6.77845 3.91709 9.42442 6.83996 9.3651 8.97103 numMergedOcc 0
7 mol 37 unq 0 iso 0 dist 7.489 4.24987 6.64605 6.74356 7.7568 9.29752 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.61468 14.2261 9.53794 5.71434 6.02034 10.2267 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 8.61468 11.1106 9.84346 5.71434 6.02034 11.4479 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 6.27186 11.1106 9.46472 5.71434 6.77808 11.4479 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.04935 5.87135 7.74131 13.9849 8.71103 9.0655 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 9.04648 5.07022 7.97999 10.9906 7.80113 6.35468 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 6.79564 14.4499 9.57953 10.1416 9.81273 15.362 numMergedOcc 0
14 mol 103 unq 1 iso 0 dist 6.79564 14.4499 9.57953 11.405 6.67575 5.42278 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.7232 6.45157 7.12336 7.75644 6.23615 12.4479 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 8.53483 5.27994 8.15747 5.85166 5.83335 4.07773 numMergedOcc 0
17 mol 183 unq 1 iso 0 dist 8.53483 5.27994 8.15747 18.0876 9.92635 16.0056 numMergedOcc 0
18 mol 183 unq 2 iso 0 dist 8.53483 13.4834 5.44125 5.85166 5.83335 9.7245 numMergedOcc 0
19 mol 183 unq 3 iso 0 dist 8.53483 13.4834 5.44125 18.0876 9.92635 7.93856 numMergedOcc 0
20 mol 183 unq 4 iso 0 dist 8.58404 5.50571 8.15747 5.78444 5.83335 4.07773 numMergedOcc 0
21 mol 183 unq 5 iso 0 dist 8.58404 5.50571 8.15747 13.2035 9.92635 16.0056 numMergedOcc 0
22 mol 183 unq 6 iso 0 dist 8.58404 11.5857 5.44125 5.78444 5.83335 9.7245 numMergedOcc 0
23 mol 183 unq 7 iso 0 dist 8.58404 11.5857 5.44125 13.2035 9.92635 7.93856 numMergedOcc 0
24 mol 183 unq 8 iso 0 dist 8.1126 5.50571 8.74903 5.7856 9.86506 5.7389 numMergedOcc 0
25 mol 183 unq 9 iso 0 dist 8.1126 5.50571 8.74903 5.78444 7.86724 4.07773 numMergedOcc 0
26 mol 183 unq 10 iso 0 dist 8.1126 5.50571 8.74903 13.2035 7.85507 16.0056 numMergedOcc 0
27 mol 183 unq 11 iso 0 dist 8.1126 11.5857 7.11505 5.7856 9.86506 15.6656 numMergedOcc 0
28 mol 183 unq 12 iso 0 dist 8.1126 11.5857 7.11505 5.78444 7.86724 9.7245 numMergedOcc 0
29 mol 183 unq 13 iso 0 dist 8.1126 11.5857 7.11505 13.2035 7.85507 7.93856 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 7.09776 6.34974 7.50665 4.12545 4.90407 5.31797 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 9.36652 13.4771 7.14598 8.84757 9.71499 9.74403 numMergedOcc 0
32 mol 256 unq 1 iso 0 dist 7.54613 9.58759 7.14598 6.28363 9.71499 9.74403 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 9.98868 9.48658 6.15713 11.1542 8.51287 6.12334 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 8.62592 8.95242 8.37512 12.3393 9.4886 5.24482 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 8.93002 6.00285 9.05363 4.98212 5.98006 6.13878 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 9.83854 13.5626 9.71346 12.5955 6.98812 5.55184 numMergedOcc 0
37 mol 283 unq 0 iso 0 dist 8.28068 5.70683 8.36393 5.08363 8.80418 10.147 numMergedOcc 0
38 mol 294 unq 0 iso 0 dist 8.88961 3.86056 8.89372 7.11058 5.27236 8.00469 numMergedOcc 0
