0 mol 46 unq 0 iso 0 dist 9.14996 8.55031 16.7853 9.50444 14.3159 9.9271 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 9.47718 9.98353 14.0277 9.27409 5.65462 9.23733 numMergedOcc 0
2 mol 46 unq 2 iso 0 dist 9.47718 8.55031 5.73909 9.50444 10.8201 9.9271 numMergedOcc 0
3 mol 46 unq 3 iso 0 dist 8.9459 8.55031 7.57955 9.50444 4.72547 9.9271 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 5.81747 8.69443 13.5189 7.69638 5.87788 13.4649 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 6.81975 8.69443 12.1252 7.69638 5.46359 13.4649 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.53794 6.02034 10.2267 9.4486 18.0271 13.0908 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 9.84346 6.02034 11.4479 9.4486 18.5554 13.0908 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 7.97999 7.80113 6.35468 5.91009 8.73164 8.5555 numMergedOcc 0
9 mol 108 unq 0 iso 0 dist 9.65148 9.82453 12.5917 9.39566 10.7874 6.32505 numMergedOcc 0
10 mol 108 unq 1 iso 0 dist 9.65148 8.79452 4.70331 9.39566 10.7874 9.96318 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 7.84249 6.30128 9.10324 6.09626 6.62328 4.6963 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.72434 8.39253 10.4071 8.4733 13.0801 13.7956 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 7.12336 8.63817 4.70999 6.42904 10.2948 9.67141 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 7.12336 6.23615 12.4479 6.72323 12.6435 4.7146 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 7.7264 9.82925 7.58974 7.81715 4.04072 4.77979 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 5.75545 6.13872 5.17618 5.66363 5.18154 9.21613 numMergedOcc 0
17 mol 188 unq 0 iso 0 dist 9.5523 8.48582 5.8486 9.99421 4.2821 9.411 numMergedOcc 0
18 mol 188 unq 1 iso 0 dist 9.5523 8.48582 5.8486 9.37017 5.23385 8.98299 numMergedOcc 0
19 mol 188 unq 2 iso 0 dist 9.5523 9.94804 6.75677 9.99421 4.2821 6.29343 numMergedOcc 0
20 mol 188 unq 3 iso 0 dist 9.5523 9.94804 6.75677 9.37017 5.23385 11.054 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 8.97651 9.0153 10.3135 8.13947 4.13357 8.94335 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 9.37229 8.10096 9.97507 7.04477 13.3145 7.93097 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.37512 9.4886 5.24482 8.63176 5.32742 8.01004 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 6.15713 8.51287 6.12334 8.12414 4.17741 5.72626 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 9.60643 6.97456 9.0771 6.81257 5.04243 5.39083 numMergedOcc 0
26 mol 278 unq 1 iso 0 dist 7.79408 6.97456 4.47399 6.81257 4.74121 5.39083 numMergedOcc 0
