0 mol 58 unq 0 iso 0 dist 8.37546 4.67517 8.01308 6.86485 6.20884 8.96727 7.71984 9.55996 4.81926 9.22598 numMergedOcc 0
1 mol 89 unq 0 iso 0 dist 9.55954 6.529 6.53308 7.06277 7.04263 7.47974 4.4691 13.0722 9.1532 8.40422 numMergedOcc 0
2 mol 89 unq 1 iso 0 dist 9.55954 6.529 6.53308 7.06277 7.04263 7.47974 5.38419 10.7697 4.8812 8.40425 numMergedOcc 0
3 mol 89 unq 2 iso 0 dist 9.55954 6.529 6.53308 7.06277 7.04263 7.47974 8.3977 12.3442 10.4087 5.51831 numMergedOcc 0
4 mol 89 unq 3 iso 0 dist 9.55954 6.529 6.53308 7.06277 7.04263 7.47974 9.83986 15.1929 10.8948 9.65149 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.44426 6.21302 5.2571 10.877 6.70343 7.54889 15.3379 14.0897 13.659 9.64383 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.44426 6.21302 5.2571 10.877 6.70343 7.54889 11.2075 8.7497 5.02887 7.78931 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 5.44426 11.2075 8.7497 10.877 6.70343 7.78931 15.3379 14.0897 14.591 9.64383 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 5.44426 11.2075 8.7497 10.877 6.70343 7.78931 6.21302 5.2571 5.02887 7.54889 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 7.63284 4.70157 7.02507 5.44426 9.6331 5.92242 9.04817 9.89095 9.51923 5.10496 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 7.63284 4.70157 7.02507 5.44426 9.6331 5.92242 6.21302 12.7417 9.42358 5.2571 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 7.63284 4.70157 7.02507 5.44426 9.6331 5.92242 11.2075 17.1287 13.9786 8.7497 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 8.65429 9.9123 7.54889 13.0419 6.70343 5.2571 16.6744 9.81956 8.40073 5.10496 numMergedOcc 0
13 mol 98 unq 8 iso 0 dist 8.65429 9.9123 7.54889 13.0419 6.70343 5.2571 16.284 10.8223 9.42358 5.92242 numMergedOcc 0
14 mol 98 unq 9 iso 0 dist 8.65429 9.9123 7.54889 13.0419 6.70343 5.2571 8.49566 7.78931 5.02887 8.7497 numMergedOcc 0
15 mol 98 unq 10 iso 0 dist 8.65429 8.49566 7.78931 13.0419 6.70343 8.7497 16.6744 9.81956 10.2427 5.10496 numMergedOcc 0
16 mol 98 unq 11 iso 0 dist 8.65429 8.49566 7.78931 13.0419 6.70343 8.7497 16.284 10.8223 13.9786 5.92242 numMergedOcc 0
17 mol 98 unq 12 iso 0 dist 8.65429 8.49566 7.78931 13.0419 6.70343 8.7497 9.9123 7.54889 5.02887 5.2571 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 5.93561 5.15479 6.29161 5.33967 7.49425 7.86666 14.949 15.7676 17.2949 9.77497 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 6.17349 6.86762 7.69765 9.21978 11.044 9.42082 10.3475 13.4105 7.69052 6.39384 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.8564 14.9183 8.69531 8.91647 5.83782 9.1998 5.4686 9.70973 11.6064 6.42772 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 9.8564 14.9183 8.69531 8.91647 5.83782 9.1998 17.2824 10.3432 7.09823 8.70621 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.83476 5.49497 6.64173 13.3652 11.196 9.01624 16.3456 15.3823 11.5866 5.05973 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 9.42801 15.4299 8.19317 14.1068 4.8835 6.29377 10.8094 5.1823 7.218 5.70635 numMergedOcc 0
24 mol 235 unq 1 iso 0 dist 9.42801 10.8094 5.1823 14.1068 4.8835 5.70635 15.4299 8.19317 7.218 6.29377 numMergedOcc 0
25 mol 251 unq 0 iso 0 dist 7.96982 4.34197 7.39775 8.99048 3.63976 6.50357 6.30024 10.322 5.19086 9.82601 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 9.13412 14.0055 9.46442 10.5082 3.57128 7.30758 17.3389 13.4489 10.3106 9.9182 numMergedOcc 0
27 mol 292 unq 1 iso 0 dist 9.13412 14.0055 9.46442 10.5082 3.57128 7.30758 6.53082 9.96037 12.6861 9.10788 numMergedOcc 0
