0 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 11.2215 5.47421 7.32874 10.5081 5.98837 8.26899 4.55117 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.66055 5.76106 6.81627 14.5289 9.7274 9.55426 10.5081 5.98837 8.26899 10.3782 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 11.7388 6.87425 7.47541 9.70777 6.47779 7.22293 7.98917 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 7.59073 4.53858 5.73196 11.7649 10.1164 7.66905 9.70777 6.47779 7.22293 11.6116 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 11.7895 8.02349 6.11741 11.0433 6.09023 9.66954 4.61908 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.11612 10.3475 9.33865 11.7895 8.02349 6.11741 9.95565 10.2377 7.64585 10.8939 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 12.9567 10.8507 7.30858 11.0433 6.09023 8.66155 11.3902 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 5.11612 6.86762 5.83991 11.7895 8.02349 7.88312 11.0433 6.09023 8.66155 4.61908 numMergedOcc 0
8 mol 115 unq 4 iso 0 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 10.2245 10.7942 7.76729 10.9739 numMergedOcc 0
9 mol 115 unq 5 iso 0 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 12.7277 10.8292 6.99777 11.7126 numMergedOcc 0
10 mol 115 unq 6 iso 0 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 11.1013 6.12943 9.14376 4.62962 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 12.6233 13.1058 7.90328 9.77482 11.3679 6.62561 4.91401 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 12.5882 6.2715 5.6234 13.2601 8.22779 9.8589 10.5631 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 7.94593 13.2723 9.0018 15.3964 8.16421 6.57069 13.2601 8.22779 9.8589 7.5414 numMergedOcc 0
14 mol 175 unq 2 iso 0 dist 7.94593 8.63795 7.652 12.5882 6.2715 9.92231 13.2601 8.22779 7.24908 10.5631 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 5.41229 4.51874 6.69288 8.57378 5.34677 6.43573 12.452 10.5783 8.96511 5.96647 numMergedOcc 0
16 mol 178 unq 1 iso 0 dist 5.41229 4.51874 6.69288 10.1979 11.7381 7.17202 12.452 10.5783 8.96511 12.075 numMergedOcc 0
17 mol 178 unq 2 iso 0 dist 5.41229 4.51874 6.69288 13.0631 14.0703 8.81551 12.452 10.5783 8.96511 9.92132 numMergedOcc 0
18 mol 178 unq 3 iso 0 dist 8.57378 4.51874 6.43573 5.41229 5.34677 6.69288 12.452 5.96647 8.96511 10.5783 numMergedOcc 0
19 mol 178 unq 4 iso 0 dist 8.57378 4.51874 6.43573 10.1979 9.89739 7.17202 12.452 5.96647 8.96511 12.075 numMergedOcc 0
20 mol 178 unq 5 iso 0 dist 8.57378 4.51874 6.43573 13.0631 10.5529 8.81551 12.452 5.96647 8.96511 9.92132 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 15.3001 8.85576 7.81386 8.22583 9.60512 7.98142 9.53462 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.50454 11.755 7.63312 15.3001 8.85576 7.81386 12.8564 13.3389 7.37327 11.1462 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 7.15963 6.73556 5.98885 11.5431 10.1912 9.09537 10.4914 5.4601 7.20046 6.14208 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 7.15963 6.73556 5.98885 11.5431 10.1912 9.09537 12.7342 10.0524 7.13543 5.95965 numMergedOcc 0
25 mol 181 unq 4 iso 0 dist 6.43406 10.9813 7.81386 13.9818 8.85576 7.63312 15.0054 9.53462 7.98142 9.60512 numMergedOcc 0
26 mol 181 unq 5 iso 0 dist 6.43406 10.9813 7.81386 13.9818 8.85576 7.63312 14.1437 11.1462 7.37327 13.3389 numMergedOcc 0
27 mol 181 unq 6 iso 0 dist 8.80581 10.209 7.63312 14.9028 8.85576 7.81386 16.0943 9.60512 7.98142 9.53462 numMergedOcc 0
28 mol 181 unq 7 iso 0 dist 8.80581 10.209 7.63312 14.9028 8.85576 7.81386 17.06 13.3389 7.37327 11.1462 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 13.1824 7.38516 6.03031 9.70674 6.23291 9.19704 8.66809 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 6.04106 12.9245 7.26832 19.8591 13.8543 7.80463 9.70674 6.23291 9.19704 13.231 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 11.7326 4.70378 6.57273 11.9527 7.98696 6.87664 7.12232 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 14.3448 11.5372 5.78342 11.9527 7.98696 6.87664 5.3621 numMergedOcc 0
33 mol 224 unq 2 iso 0 dist 8.47457 8.1404 6.60589 12.3857 5.0744 6.57273 10.8956 6.12232 6.65984 5.29877 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 7.17032 5.44278 6.56247 10.3795 6.29886 8.34494 11.5443 11.216 6.25105 10.3337 numMergedOcc 0
35 mol 234 unq 1 iso 0 dist 7.17032 5.44278 6.56247 12.069 7.82322 9.36357 11.5443 11.216 6.25105 11.4315 numMergedOcc 0
36 mol 234 unq 2 iso 0 dist 7.17032 9.25445 9.45496 12.069 7.82322 6.7625 15.1563 15.9563 9.5707 14.4106 numMergedOcc 0
37 mol 234 unq 3 iso 0 dist 7.17032 9.25445 9.45496 12.069 7.82322 6.7625 11.5443 11.216 7.85175 11.4315 numMergedOcc 0
38 mol 282 unq 0 iso 0 dist 7.34596 4.36798 8.76532 10.5849 10.0156 8.04483 10.7897 8.14825 8.8673 10.1236 numMergedOcc 0
39 mol 282 unq 1 iso 0 dist 7.34596 4.36798 8.76532 7.12228 4.66602 6.33524 10.7897 8.14825 8.8673 7.36881 numMergedOcc 0
40 mol 282 unq 2 iso 0 dist 7.12228 4.36798 6.33524 10.5849 5.39891 8.04483 10.7897 7.36881 8.8673 10.1236 numMergedOcc 0
41 mol 282 unq 3 iso 0 dist 7.12228 4.36798 6.33524 7.34596 4.66602 8.76532 10.7897 7.36881 8.8673 8.14825 numMergedOcc 0
