0 mol 20 unq 0 iso 0 dist 6.44693 8.91975 9.24758 9.63181 7.77965 10.5266 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 7.0928 6.5461 11.1954 9.67946 4.3253 12.9801 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 8.28463 9.11084 12.8759 6.75307 6.65855 6.50158 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 8.28463 9.11084 12.8759 7.24775 14.3929 5.92112 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 7.34019 9.0321 10.1196 7.11464 6.11846 4.74833 numMergedOcc 0
5 mol 36 unq 1 iso 0 dist 7.34019 8.88147 6.97061 7.11464 6.11846 12.2764 numMergedOcc 0
6 mol 36 unq 2 iso 0 dist 8.43828 9.0321 5.81516 7.11464 7.3917 4.74833 numMergedOcc 0
7 mol 36 unq 3 iso 0 dist 8.43828 8.88147 12.6598 7.11464 7.3917 12.2764 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.91446 9.74416 3.94305 6.6157 7.16919 4.50298 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 9.26343 9.74416 12.3721 6.6157 9.75737 4.50298 numMergedOcc 0
10 mol 123 unq 0 iso 0 dist 9.26057 9.93167 9.43434 9.47346 9.02568 13.7302 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 9.7168 9.62458 11.3247 9.92375 11.2659 14.4323 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 7.38138 9.62458 9.61708 9.92375 4.99768 14.4323 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 9.05666 6.08455 10.375 7.27051 12.717 7.52403 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 9.05666 6.08455 10.375 7.35424 14.8459 6.91699 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 6.64506 6.64996 7.02499 5.21339 9.09988 5.82576 numMergedOcc 0
16 mol 196 unq 1 iso 0 dist 6.60651 8.94535 10.8619 6.67699 8.50224 3.68546 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.93154 9.92621 10.2987 5.87056 6.00424 5.78036 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 9.93154 9.92621 10.2987 9.84311 10.7656 14.7628 numMergedOcc 0
19 mol 227 unq 2 iso 0 dist 9.93154 9.92621 10.2987 8.85568 10.3825 16.4453 numMergedOcc 0
20 mol 227 unq 3 iso 0 dist 9.18218 9.92621 14.5919 5.87056 9.76735 5.78036 numMergedOcc 0
21 mol 227 unq 4 iso 0 dist 9.18218 9.92621 14.5919 9.84311 5.10635 14.7628 numMergedOcc 0
22 mol 227 unq 5 iso 0 dist 9.18218 9.92621 14.5919 8.85568 8.86483 16.4453 numMergedOcc 0
23 mol 227 unq 6 iso 0 dist 6.18486 9.92621 14.3995 5.87056 9.32448 5.78036 numMergedOcc 0
24 mol 227 unq 7 iso 0 dist 6.18486 9.92621 14.3995 9.84311 6.48027 14.7628 numMergedOcc 0
25 mol 227 unq 8 iso 0 dist 6.18486 9.92621 14.3995 8.85568 6.67321 16.4453 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 6.18342 9.86436 4.43989 9.5174 10.8792 11.4565 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 9.54236 9.97008 16.0975 9.1926 4.61517 14.8278 numMergedOcc 0
28 mol 272 unq 1 iso 0 dist 9.54236 9.97008 16.0975 9.17894 8.52496 17.2633 numMergedOcc 0
29 mol 272 unq 2 iso 0 dist 9.54236 5.98984 4.09369 9.1926 4.61517 6.20439 numMergedOcc 0
30 mol 272 unq 3 iso 0 dist 9.54236 5.98984 4.09369 9.17894 8.52496 6.59992 numMergedOcc 0
31 mol 272 unq 4 iso 0 dist 9.54236 4.90884 6.96015 9.1926 4.61517 8.75151 numMergedOcc 0
32 mol 272 unq 5 iso 0 dist 9.54236 4.90884 6.96015 9.17894 8.52496 4.70157 numMergedOcc 0
33 mol 278 unq 0 iso 0 dist 9.58494 6.95272 7.41825 8.71212 7.66477 5.93697 numMergedOcc 0
34 mol 278 unq 1 iso 0 dist 9.58494 6.95272 7.41825 8.60481 9.96924 7.27472 numMergedOcc 0
