0 mol 25 unq 0 iso 0 dist 7.0928 9.67946 4.3253 6.32132 5.04899 9.28244 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.15677 9.53735 10.797 16.4682 8.34347 18.8417 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.61029 9.34599 10.797 14.3476 8.34347 18.8417 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.61029 6.32127 10.9837 14.3476 8.34347 18.1487 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 10.6355 9.5589 10.6808 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 7.51978 5.0478 4.29856 6.43082 6.83299 6.14538 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 7.51978 5.0478 4.29856 11.7347 8.10861 10.4158 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 7.15486 9.42188 8.2405 6.58144 6.64012 13.4665 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.15486 9.42188 8.2405 4.98107 9.4099 13.6018 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 8.52969 9.42188 9.11373 11.6772 6.81627 15.7503 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 8.52969 9.42188 9.11373 9.0406 7.32874 14.564 numMergedOcc 0
11 mol 58 unq 4 iso 0 dist 8.52969 9.42188 9.11373 4.98107 9.55426 13.6018 numMergedOcc 0
12 mol 66 unq 0 iso 0 dist 7.69019 5.75397 5.61937 5.89221 8.96624 10.4691 numMergedOcc 0
13 mol 66 unq 1 iso 0 dist 7.69019 9.11975 7.22146 5.89221 8.96624 13.2323 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.22406 8.57012 13.3881 5.41023 9.64443 8.91313 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 8.22406 9.75945 5.90097 5.41023 9.64443 8.16392 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 9.65979 6.45675 15.8683 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 5.09688 8.22984 9.75737 12.2879 7.47343 16.5404 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 5.09688 8.22984 9.75737 10.2364 8.86688 16.3323 numMergedOcc 0
19 mol 100 unq 3 iso 0 dist 9.26343 6.6157 9.75737 13.666 6.45675 15.8683 numMergedOcc 0
20 mol 100 unq 4 iso 0 dist 9.26343 6.6157 9.75737 16.4386 7.47343 16.5404 numMergedOcc 0
21 mol 100 unq 5 iso 0 dist 9.26343 6.6157 9.75737 15.5646 8.86688 16.3323 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 7.65229 6.73172 5.39346 5.43987 9.60462 10.1861 numMergedOcc 0
23 mol 112 unq 1 iso 0 dist 7.65229 6.73172 5.39346 9.7695 7.45389 10.15 numMergedOcc 0
24 mol 125 unq 0 iso 0 dist 8.38646 8.6317 9.20086 6.5815 8.62381 12.7356 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 6.38977 8.74658 7.7567 6.82985 8.40312 9.90168 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 9.69757 8.74658 8.23791 6.82985 7.12972 9.90168 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 8.76337 7.63312 11.9764 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.25528 5.6688 5.6044 18.2027 9.1374 14.2254 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 9.25528 5.6688 5.6044 11.4901 5.98885 9.72611 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 9.25528 5.6688 5.6044 11.9545 9.15386 10.428 numMergedOcc 0
31 mol 182 unq 0 iso 0 dist 7.8621 8.04856 9.81003 6.98787 9.31746 13.7536 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 8.03567 9.01369 5.4141 8.18892 9.70748 7.66165 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 8.03567 9.01369 5.4141 8.339 7.54065 12.4002 numMergedOcc 0
34 mol 186 unq 2 iso 0 dist 8.03567 9.01369 5.4141 12.2966 8.87694 14.0016 numMergedOcc 0
35 mol 192 unq 0 iso 0 dist 9.05666 7.27051 12.717 5.64431 5.59424 12.0486 numMergedOcc 0
36 mol 192 unq 1 iso 0 dist 9.05666 7.27051 12.717 10.8223 7.00794 16.9245 numMergedOcc 0
37 mol 192 unq 2 iso 0 dist 9.05666 7.35424 14.8459 5.64431 5.59424 12.708 numMergedOcc 0
38 mol 192 unq 3 iso 0 dist 9.05666 7.35424 14.8459 10.8223 7.00794 18.1003 numMergedOcc 0
39 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 14.0488 7.10633 11.5776 numMergedOcc 0
40 mol 204 unq 1 iso 0 dist 7.92766 6.21588 5.86489 7.58285 8.51516 7.32294 numMergedOcc 0
41 mol 214 unq 0 iso 0 dist 8.3035 8.07237 7.8472 6.23589 8.82096 11.9912 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 9.93154 5.87056 6.00424 6.78651 9.34734 7.43071 numMergedOcc 0
43 mol 227 unq 1 iso 0 dist 9.93154 9.84311 10.7656 6.78651 9.34734 5.41321 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 9.93154 8.85568 10.3825 6.78651 9.34734 13.0798 numMergedOcc 0
45 mol 227 unq 3 iso 0 dist 9.18218 5.87056 9.76735 6.78651 7.56888 7.43071 numMergedOcc 0
46 mol 227 unq 4 iso 0 dist 9.18218 9.84311 5.10635 6.78651 7.56888 5.41321 numMergedOcc 0
47 mol 227 unq 5 iso 0 dist 9.18218 8.85568 8.86483 6.78651 7.56888 13.0798 numMergedOcc 0
48 mol 227 unq 6 iso 0 dist 6.18486 5.87056 9.32448 6.78651 7.55216 7.43071 numMergedOcc 0
49 mol 227 unq 7 iso 0 dist 6.18486 9.84311 6.48027 6.78651 7.55216 5.41321 numMergedOcc 0
50 mol 227 unq 8 iso 0 dist 6.18486 8.85568 6.67321 6.78651 7.55216 13.0798 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 7.80166 8.03226 14.388 6.77788 5.72887 14.6113 numMergedOcc 0
52 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 9.0081 9.02271 13.07 numMergedOcc 0
53 mol 253 unq 1 iso 0 dist 7.0247 8.70383 5.78064 10.9027 9.02271 13.07 numMergedOcc 0
54 mol 261 unq 0 iso 0 dist 7.26647 5.83338 7.86966 4.95196 7.73141 10.3119 numMergedOcc 0
55 mol 261 unq 1 iso 0 dist 7.26647 5.83338 7.86966 9.29412 8.43057 11.0912 numMergedOcc 0
56 mol 261 unq 2 iso 0 dist 7.7309 5.83338 6.65675 9.29412 6.05727 11.0912 numMergedOcc 0
57 mol 276 unq 0 iso 0 dist 7.11272 8.74282 6.51623 5.75852 6.87396 11.2569 numMergedOcc 0
58 mol 282 unq 0 iso 0 dist 7.70229 5.94224 8.2662 8.93697 8.76532 10.6906 numMergedOcc 0
59 mol 282 unq 1 iso 0 dist 7.90792 5.94224 6.6348 8.93697 6.33524 10.6906 numMergedOcc 0
