DOCK 5.2 ligand_atoms positive (1) negative (2) acceptor (3) donor (4) ester_o (5) amide_o (6) neutral (7) not_neutral (8) positive_or_donor (9) negative_or_acceptor (10) neutral_or_acceptor_or_donor (11) donacc (12) cluster 1 number of spheres in cluster 35 9001 5.03846 -3.57980 -4.95754 1.836 611 0 7 9002 3.84971 3.48000 -3.58413 1.582 919 0 7 9003 10.05589 -0.30500 -7.09715 1.566 636 0 10 9004 4.61689 1.58326 -4.81919 2.555 767 0 7 9005 3.19922 -0.96771 -3.77194 2.801 1584 0 0 9006 5.74729 -0.74929 -7.54120 2.028 327 0 7 9007 5.69968 -2.54213 -5.89372 2.180 611 0 7 9008 4.20842 0.78200 -3.86459 2.589 888 0 7 9009 8.45060 0.68958 -4.09000 1.801 643 0 7 9010 4.48417 -2.69145 -6.50076 2.592 327 0 7 9011 4.69414 0.38934 -4.73326 2.940 611 0 0 9012 9.82000 0.97900 -7.15300 0.000 0 0 7 9013 1.71600 -1.39200 -3.44300 0.000 0 0 7 9014 11.05700 1.36200 -7.56600 0.000 0 0 8 9015 2.15800 -0.18600 -2.91400 0.000 0 0 7 9016 9.45400 1.20600 -5.82400 0.000 0 0 7 9017 0.47600 -1.84600 -3.09900 0.000 0 0 3 9018 3.96400 -2.17900 -8.48800 0.000 0 0 7 9019 2.48400 -2.14500 -4.33000 0.000 0 0 7 9020 4.36200 2.95900 -4.35600 0.000 0 0 7 9021 7.72800 -0.07900 -7.64100 0.000 0 0 7 9022 3.41300 0.29300 -3.28500 0.000 0 0 7 9023 5.83200 2.60200 -4.57900 0.000 0 0 7 9024 7.73100 1.06300 -3.98500 0.000 0 0 7 9025 8.19300 0.79300 -5.40400 0.000 0 0 7 9026 8.97700 0.35200 -8.06500 0.000 0 0 10 9027 4.53600 -1.04100 -7.66000 0.000 0 0 7 9028 4.63500 -2.49100 -5.60900 0.000 0 0 7 9029 3.73900 -1.66700 -4.69800 0.000 0 0 0 9030 6.19200 1.24900 -3.93400 0.000 0 0 7 9031 7.33700 0.11400 -6.29000 0.000 0 0 7 9032 4.21700 -0.44600 -4.18900 0.000 0 0 7 9033 5.43900 -1.58700 -6.55200 0.000 0 0 7 9034 5.50700 0.08300 -4.68200 0.000 0 0 7 9035 6.08500 -0.42200 -5.79100 0.000 0 0 7