0 mol 59 unq 0 iso 0 dist 6.34078 5.30815 7.37357 10.0694 5.43469 8.69443 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 8.69443 5.43469 7.37357 10.0694 5.30815 6.34078 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 7.89201 4.55823 7.07849 11.511 4.26696 9.33209 numMergedOcc 0
3 mol 63 unq 0 iso 1 dist 9.33209 4.26696 7.07849 11.511 4.55823 7.89201 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 8.95808 9.89759 7.02558 14.8049 7.25431 6.98121 numMergedOcc 0
5 mol 83 unq 0 iso 1 dist 6.98121 7.25431 7.02558 14.8049 9.89759 8.95808 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 8.48766 12.1829 7.02558 14.2005 7.25431 6.98121 numMergedOcc 0
7 mol 83 unq 1 iso 1 dist 6.98121 7.25431 7.02558 14.2005 12.1829 8.48766 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 6.98121 6.04275 8.81183 14.821 13.7974 9.33202 numMergedOcc 0
9 mol 83 unq 2 iso 1 dist 9.33202 13.7974 8.81183 14.821 6.04275 6.98121 numMergedOcc 0
10 mol 83 unq 3 iso 0 dist 6.98121 6.04275 8.81183 10.1752 7.57208 6.55004 numMergedOcc 0
11 mol 83 unq 3 iso 1 dist 6.55004 7.57208 8.81183 10.1752 6.04275 6.98121 numMergedOcc 0
12 mol 83 unq 4 iso 0 dist 6.98121 6.04275 8.81183 11.421 9.77063 7.16614 numMergedOcc 0
13 mol 83 unq 4 iso 1 dist 7.16614 9.77063 8.81183 11.421 6.04275 6.98121 numMergedOcc 0
14 mol 83 unq 5 iso 0 dist 6.98121 6.04275 8.81183 12.3384 10.944 9.35188 numMergedOcc 0
15 mol 83 unq 5 iso 1 dist 9.35188 10.944 8.81183 12.3384 6.04275 6.98121 numMergedOcc 0
16 mol 108 unq 0 iso 0 dist 5.52402 9.40297 7.84262 14.4539 10.5433 6.46069 numMergedOcc 0
17 mol 108 unq 0 iso 1 dist 6.46069 10.5433 7.84262 14.4539 9.40297 5.52402 numMergedOcc 0
18 mol 108 unq 1 iso 0 dist 7.57593 9.40297 9.29208 14.4539 12.2277 6.46069 numMergedOcc 0
19 mol 108 unq 1 iso 1 dist 6.46069 12.2277 9.29208 14.4539 9.40297 7.57593 numMergedOcc 0
20 mol 108 unq 1 iso 0 dist 6.46069 10.5433 7.84262 9.62124 5.53105 6.79804 numMergedOcc 0
21 mol 108 unq 1 iso 1 dist 6.79804 5.53105 7.84262 9.62124 10.5433 6.46069 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 9.44788 10.872 9.22776 11.0787 9.20895 9.2167 numMergedOcc 0
23 mol 119 unq 0 iso 1 dist 9.2167 9.20895 9.22776 11.0787 10.872 9.44788 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 9.21256 13.9116 8.43088 11.6694 12.4479 8.63817 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 8.63817 12.4479 8.43088 11.6694 13.9116 9.21256 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 8.3243 15.5016 8.43088 15.667 12.4479 8.63817 numMergedOcc 0
27 mol 133 unq 1 iso 1 dist 8.63817 12.4479 8.43088 15.667 15.5016 8.3243 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 8.95239 17.2482 8.43088 19.5009 12.4479 8.63817 numMergedOcc 0
29 mol 133 unq 2 iso 1 dist 8.63817 12.4479 8.43088 19.5009 17.2482 8.95239 numMergedOcc 0
30 mol 133 unq 3 iso 0 dist 6.23615 4.70999 8.43088 7.12336 12.4479 8.63817 numMergedOcc 0
31 mol 133 unq 3 iso 1 dist 8.63817 12.4479 8.43088 7.12336 4.70999 6.23615 numMergedOcc 0
32 mol 183 unq 0 iso 0 dist 9.86506 11.1179 9.59741 13.1649 5.24909 7.38821 numMergedOcc 0
33 mol 183 unq 0 iso 1 dist 7.38821 5.24909 9.59741 13.1649 11.1179 9.86506 numMergedOcc 0
34 mol 212 unq 0 iso 0 dist 9.66798 5.08998 9.12948 11.4337 7.59302 7.73701 numMergedOcc 0
35 mol 212 unq 0 iso 1 dist 7.73701 7.59302 9.12948 11.4337 5.08998 9.66798 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 4.90407 3.75614 6.41452 7.50665 5.31797 6.56262 numMergedOcc 0
37 mol 234 unq 0 iso 1 dist 6.56262 5.31797 6.41452 7.50665 3.75614 4.90407 numMergedOcc 0
38 mol 257 unq 0 iso 0 dist 8.43067 11.5712 6.75578 17.2037 11.2757 9.02271 numMergedOcc 0
39 mol 257 unq 0 iso 1 dist 9.02271 11.2757 6.75578 17.2037 11.5712 8.43067 numMergedOcc 0
40 mol 257 unq 1 iso 0 dist 7.6127 9.42674 6.75578 17.2642 11.2757 9.02271 numMergedOcc 0
41 mol 257 unq 1 iso 1 dist 9.02271 11.2757 6.75578 17.2642 9.42674 7.6127 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 5.45793 6.13878 6.13752 9.05363 5.30516 5.98006 numMergedOcc 0
43 mol 259 unq 0 iso 1 dist 5.98006 5.30516 6.13752 9.05363 6.13878 5.45793 numMergedOcc 0
44 mol 278 unq 0 iso 0 dist 6.83278 4.47399 5.12827 7.79408 4.50533 6.97456 numMergedOcc 0
45 mol 278 unq 0 iso 1 dist 6.97456 4.50533 5.12827 7.79408 4.47399 6.83278 numMergedOcc 0
