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 25.99900 24.66300 10.83600 0.000 0 0 7 9002 25.90400 23.91500 12.52100 0.000 0 0 7 9003 24.68470 22.38931 11.31001 1.636 4013 0 3 9004 26.27000 24.67600 13.62800 0.000 0 0 7 9005 19.29767 22.77900 16.59949 1.525 3981 0 3 9006 23.76398 22.26005 16.95547 1.787 2607 0 7 9007 28.70900 21.81600 19.97300 0.000 0 0 7 9008 18.85900 21.64500 17.80800 0.000 0 0 7 9009 29.41200 20.18200 18.62200 0.000 0 0 7 9010 25.58900 22.56000 12.67100 0.000 0 0 7 9011 19.14800 19.15600 17.02100 0.000 0 0 0 9012 19.48200 20.86200 16.77800 0.000 0 0 7 9013 26.35800 24.07200 14.89600 0.000 0 0 7 9014 28.35300 20.73700 19.23200 0.000 0 0 7 9015 26.64844 19.34000 17.43885 1.598 708 0 3 9016 18.54937 21.01287 18.90742 1.544 449 0 3 9017 25.67300 21.94200 13.94100 0.000 0 0 7 9018 27.55700 21.73400 16.85800 0.000 0 0 7 9019 26.07000 22.69200 15.05000 0.000 0 0 7 9020 27.33400 21.14900 18.21200 0.000 0 0 7 9021 18.78925 22.35323 18.59923 1.544 2609 0 3 9022 21.28600 21.09600 16.90700 0.000 0 0 7 9023 26.32200 22.02900 16.36600 0.000 0 0 7 9024 23.28400 22.29600 16.26100 0.000 0 0 7 9025 22.04600 20.26400 17.76100 0.000 0 0 7 9026 25.37400 21.65700 17.29200 0.000 0 0 7 9027 18.89615 20.78000 17.90686 1.620 449 0 3 9028 23.41600 20.45500 17.86200 0.000 0 0 7 9029 24.02800 21.46800 17.11300 0.000 0 0 7 9030 27.31455 19.80021 19.32273 1.401 708 0 3 9031 24.19272 19.82247 17.69299 1.432 4017 0 3 9032 19.04400 21.31600 15.49600 0.000 0 0 3 9033 27.78700 19.83000 20.03600 0.000 0 0 3 9034 21.90300 22.11200 16.15800 0.000 0 0 3 9035 26.04700 21.10100 18.42400 0.000 0 0 3