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 17.13152 60.74476 55.29514 1.405 1006 0 8 9002 16.51991 61.04539 54.25468 1.415 2275 0 8 9003 25.91046 56.04517 55.62792 1.400 2736 0 3 9004 21.78006 60.58324 55.77688 1.411 2738 0 10 9005 25.61362 58.70219 57.59087 1.400 429 0 3 9006 20.46080 62.35830 52.43954 1.491 1203 0 8 9007 17.52400 60.31369 53.26920 1.443 1204 0 0 9008 24.46846 55.13691 57.70750 1.632 445 0 10 9009 20.75007 60.59314 51.88550 1.699 1422 0 8 9010 22.52153 60.40658 56.29009 1.454 2738 0 7 9011 20.53949 56.00500 54.72746 1.400 6706 0 3 9012 18.47838 59.09191 54.62916 1.673 6705 0 0 9013 21.33361 57.73159 53.76300 1.609 2698 0 0 9014 21.83805 55.80743 54.97594 1.514 2662 0 4 9015 19.49552 58.03123 54.65365 1.400 6705 0 0 9016 20.53270 60.28219 53.45532 2.136 2738 0 7 9017 21.98061 58.87172 55.92353 1.431 2738 0 7 9018 25.07800 55.61400 57.24800 0.000 0 0 10 9019 21.38687 58.94307 55.24657 1.520 413 0 7 9020 24.68900 57.89100 57.79500 0.000 0 0 12 9021 24.40200 56.77600 57.05400 0.000 0 0 4 9022 19.74600 60.53500 52.86000 0.000 0 0 7 9023 24.02500 59.04000 57.60300 0.000 0 0 0 9024 18.79200 59.88100 53.78300 0.000 0 0 7 9025 19.48600 61.19000 51.87400 0.000 0 0 9 9026 22.79500 56.04800 55.15800 0.000 0 0 4 9027 23.37100 56.90500 56.08300 0.000 0 0 7 9028 21.01400 59.70200 52.98800 0.000 0 0 7 9029 19.45100 59.07700 54.67500 0.000 0 0 0 9030 23.03300 59.29900 56.71800 0.000 0 0 7 9031 21.88700 56.74100 54.52500 0.000 0 0 7 9032 22.73100 58.18200 55.95900 0.000 0 0 7 9033 22.11800 60.56900 52.77600 0.000 0 0 10 9034 20.94700 59.11400 54.45500 0.000 0 0 7 9035 21.80800 58.03800 54.96100 0.000 0 0 7