0 mol 26 unq 0 iso 0 dist 9.15677 9.53735 10.797 16.4682 8.34347 18.8417 14.1383 8.44506 11.5353 13.2876 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 9.34599 10.797 14.3476 8.34347 18.8417 9.77186 8.44506 11.5353 13.2876 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.61029 6.32127 10.9837 14.3476 8.34347 18.1487 9.77186 8.44506 9.5053 13.2876 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 9.65979 6.45675 15.8683 5.25231 9.00544 12.2657 11.8512 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 5.09688 8.22984 9.75737 9.65979 6.45675 15.8683 6.16378 7.12017 9.5669 9.52882 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 5.09688 8.22984 9.75737 12.2879 7.47343 16.5404 5.25231 9.00544 12.2657 14.9392 numMergedOcc 0
6 mol 100 unq 3 iso 0 dist 5.09688 8.22984 9.75737 12.2879 7.47343 16.5404 6.16378 7.12017 9.5669 12.6602 numMergedOcc 0
7 mol 100 unq 4 iso 0 dist 5.09688 8.22984 9.75737 10.2364 8.86688 16.3323 5.25231 9.00544 12.2657 9.01214 numMergedOcc 0
8 mol 100 unq 5 iso 0 dist 5.09688 8.22984 9.75737 10.2364 8.86688 16.3323 6.16378 7.12017 9.5669 14.8674 numMergedOcc 0
9 mol 100 unq 6 iso 0 dist 9.26343 6.6157 9.75737 13.666 6.45675 15.8683 8.90536 9.00544 12.2657 11.8512 numMergedOcc 0
10 mol 100 unq 7 iso 0 dist 9.26343 6.6157 9.75737 13.666 6.45675 15.8683 5.69359 7.12017 9.5669 9.52882 numMergedOcc 0
11 mol 100 unq 8 iso 0 dist 9.26343 6.6157 9.75737 16.4386 7.47343 16.5404 8.90536 9.00544 12.2657 14.9392 numMergedOcc 0
12 mol 100 unq 9 iso 0 dist 9.26343 6.6157 9.75737 16.4386 7.47343 16.5404 5.69359 7.12017 9.5669 12.6602 numMergedOcc 0
13 mol 100 unq 10 iso 0 dist 9.26343 6.6157 9.75737 15.5646 8.86688 16.3323 8.90536 9.00544 12.2657 9.01214 numMergedOcc 0
14 mol 100 unq 11 iso 0 dist 9.26343 6.6157 9.75737 15.5646 8.86688 16.3323 5.69359 7.12017 9.5669 14.8674 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 7.65229 6.73172 5.39346 5.43987 9.60462 10.1861 12.468 8.729 9.77017 11.0629 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 7.65229 6.73172 5.39346 9.7695 7.45389 10.15 12.468 8.729 9.77017 5.48848 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 6.38977 8.74658 7.7567 6.82985 8.40312 9.90168 6.53994 8.86329 5.56627 5.89022 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 9.69757 8.74658 8.23791 6.82985 7.12972 9.90168 6.53994 8.71039 5.56627 5.89022 numMergedOcc 0
19 mol 131 unq 2 iso 0 dist 9.69757 8.74658 8.23791 6.82985 7.12972 9.90168 13.4383 6.92648 8.50562 9.32969 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.25528 5.6688 5.6044 18.2027 9.1374 14.2254 6.09526 6.51749 7.11785 13.8722 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 9.25528 5.6688 5.6044 11.4901 5.98885 9.72611 6.09526 6.51749 7.11785 5.93488 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 9.25528 5.6688 5.6044 11.9545 9.15386 10.428 6.09526 6.51749 7.11785 7.64267 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 9.05666 7.27051 12.717 5.64431 5.59424 12.0486 6.93447 7.24199 10.3117 7.0057 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 9.05666 7.27051 12.717 10.8223 7.00794 16.9245 6.93447 7.24199 10.3117 8.51255 numMergedOcc 0
25 mol 192 unq 2 iso 0 dist 9.05666 7.35424 14.8459 5.64431 5.59424 12.708 6.93447 7.24199 12.6156 7.0057 numMergedOcc 0
26 mol 192 unq 3 iso 0 dist 9.05666 7.35424 14.8459 10.8223 7.00794 18.1003 6.93447 7.24199 12.6156 8.51255 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 14.0488 7.10633 11.5776 10.2224 6.85441 5.91727 8.17229 numMergedOcc 0
28 mol 204 unq 1 iso 0 dist 7.92766 6.21588 5.86489 7.58285 8.51516 7.32294 10.2224 6.85441 5.91727 5.74707 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 6.18486 5.87056 9.32448 6.78651 7.55216 7.43071 5.98086 5.87815 11.5062 10.6244 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 6.18486 9.84311 6.48027 6.78651 7.55216 5.41321 5.98086 5.87815 11.0303 10.6244 numMergedOcc 0
31 mol 227 unq 2 iso 0 dist 6.18486 8.85568 6.67321 6.78651 7.55216 13.0798 5.98086 5.87815 7.95359 10.6244 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 7.80166 8.03226 14.388 6.77788 5.72887 14.6113 10.4401 7.32982 12.8056 12.3808 numMergedOcc 0
33 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 9.0081 9.02271 13.07 5.37783 7.77998 8.15091 13.6942 numMergedOcc 0
34 mol 253 unq 1 iso 0 dist 7.0247 8.70383 5.78064 10.9027 9.02271 13.07 14.5125 7.77998 8.15091 13.6942 numMergedOcc 0
