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 24.35625 34.19056 203.65482 1.400 4029 0 7 9002 28.80559 32.26253 206.90663 1.400 705 0 7 9003 24.65612 34.93184 202.43367 1.771 4029 0 7 9004 26.19586 35.49633 201.63419 1.660 2593 0 7 9005 24.34205 34.40784 199.77043 2.048 2620 0 7 9006 25.52495 34.43226 203.98566 1.413 2593 0 7 9007 28.35741 32.79840 204.50101 2.012 4086 0 7 9008 23.23407 34.12433 198.54836 1.472 4017 0 3 9009 28.73539 34.63028 201.71577 1.663 4078 0 0 9010 25.41600 36.19900 197.44901 0.000 0 0 7 9011 27.81934 30.73035 205.65974 1.530 2639 0 7 9012 26.39800 36.79300 198.28500 0.000 0 0 7 9013 25.14202 32.69813 200.43169 1.401 4055 0 3 9014 27.90208 36.02724 200.81836 1.400 4078 0 12 9015 25.53472 34.05510 201.32343 2.172 4052 0 7 9016 28.70517 32.97913 202.96001 1.454 4055 0 7 9017 24.74700 35.03400 197.84599 0.000 0 0 7 9018 27.43873 33.83501 202.41478 1.693 2593 0 7 9019 26.72100 36.20300 199.54601 0.000 0 0 7 9020 23.80569 34.66702 197.93822 1.897 2929 0 3 9021 25.04100 34.41300 199.10001 0.000 0 0 7 9022 26.04800 35.01200 199.96300 0.000 0 0 7 9023 28.41200 32.99800 205.94400 0.000 0 0 7 9024 26.71099 29.11477 205.88608 1.500 739 0 8 9025 24.79641 32.57073 204.21516 1.617 4028 0 3 9026 27.77200 34.17700 201.68800 0.000 0 0 7 9027 26.38700 34.36300 201.28101 0.000 0 0 7 9028 27.24500 32.38000 205.14900 0.000 0 0 7 9029 25.37600 33.89000 202.18100 0.000 0 0 7 9030 28.05700 33.54200 202.93300 0.000 0 0 7 9031 26.31254 31.47108 204.17859 1.788 2642 0 3 9032 27.42200 30.90700 204.81700 0.000 0 0 7 9033 25.64900 33.26600 203.40601 0.000 0 0 7 9034 26.99400 33.08600 203.79100 0.000 0 0 7 9035 28.39600 30.44500 204.27400 0.000 0 0 4