0 mol 5 unq 0 iso 0 dist 6.81899 6.01866 6.86923 9.06678 11.3755 7.50453 9.47911 10.7591 5.69239 3.33561 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.22198 6.01866 9.95226 9.06678 10.3572 7.50453 9.47911 10.9809 5.69239 3.33561 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.91509 6.01866 4.60775 9.06678 5.90479 7.50453 9.47911 3.91535 5.69239 3.33561 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.89217 6.01866 8.64744 9.06678 4.59167 7.50453 9.47911 6.94674 5.69239 3.33561 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 6.99733 11.5915 8.64744 9.13355 4.59167 7.50453 11.6542 6.94674 5.69239 3.33561 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 8.81964 3.9731 8.49537 10.9825 7.69461 8.34817 12.9534 14.7887 9.70883 13.2371 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 8.81964 3.9731 8.49537 10.9825 7.69461 8.34817 11.4698 8.65468 9.65565 3.24598 numMergedOcc 0
7 mol 11 unq 0 iso 0 dist 8.34508 7.93357 5.47299 17.6833 12.9682 9.89425 9.41477 7.27588 6.83186 12.0683 numMergedOcc 0
8 mol 46 unq 0 iso 0 dist 7.43338 8.28528 7.44805 6.03151 3.66253 5.4713 10.7521 6.81182 3.77542 6.08836 numMergedOcc 0
9 mol 46 unq 1 iso 0 dist 7.43338 8.28528 7.44805 6.03151 3.66253 5.4713 17.9678 16.1056 9.97314 14.1986 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 9.26231 14.6307 9.50939 12.3818 6.1999 5.45099 13.1652 8.58474 7.66068 3.35924 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 4.56886 7.67738 7.34765 12.9795 9.35007 8.49847 7.382 3.82317 7.53342 6.95147 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 8.95432 17.2865 9.98554 13.7686 5.47558 9.44964 13.961 7.59334 7.97228 5.70869 numMergedOcc 0
13 mol 260 unq 0 iso 0 dist 8.13605 8.05498 4.76164 15.4234 14.0954 9.73217 12.295 9.45061 8.62655 15.6308 numMergedOcc 0
14 mol 260 unq 1 iso 0 dist 8.13605 8.05498 4.76164 8.29663 4.58993 7.49606 12.295 9.45061 8.62655 7.35802 numMergedOcc 0
15 mol 260 unq 2 iso 0 dist 8.13605 8.05498 4.76164 11.2032 3.69763 8.06377 12.295 9.45061 8.62655 10.4054 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 8.47385 10.2357 5.44942 14.254 6.71401 8.32982 9.66279 5.1451 6.24487 5.55422 numMergedOcc 0
17 mol 287 unq 1 iso 0 dist 8.44356 10.2357 7.82157 14.254 10.5401 8.32982 9.66279 5.15725 6.24487 5.55422 numMergedOcc 0
18 mol 287 unq 2 iso 0 dist 9.24592 10.326 5.55176 10.7645 5.06236 4.93516 7.29668 5.13698 4.68668 3.66473 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 8.47385 10.2357 5.44942 14.254 6.71401 8.32982 9.66279 5.1451 6.24487 5.55422 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 8.44356 10.2357 7.82157 14.254 10.5401 8.32982 9.66279 5.15725 6.24487 5.55422 numMergedOcc 0
21 mol 288 unq 2 iso 0 dist 9.24592 10.326 5.55176 10.7645 5.06236 4.93516 7.29668 5.13698 4.68668 3.66473 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 8.47385 10.2357 5.44942 14.254 6.71401 8.32982 9.66279 5.1451 6.24487 5.55422 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 8.44356 10.2357 7.82157 14.254 10.5401 8.32982 9.66279 5.15725 6.24487 5.55422 numMergedOcc 0
24 mol 289 unq 2 iso 0 dist 9.24592 10.326 5.55176 10.7645 5.06236 4.93516 7.29668 5.13698 4.68668 3.66473 numMergedOcc 0
