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 -2.76621 -33.85756 25.63444 2.132 804 0 7 9002 0.46371 -32.62096 26.34267 1.460 805 0 7 9003 0.32697 -34.03562 25.42413 1.484 805 0 7 9004 1.98119 -36.07307 23.08698 1.717 1442 0 0 9005 -4.17794 -33.50165 23.93143 2.129 854 0 7 9006 -1.66200 -32.74046 27.07852 2.244 804 0 7 9007 -5.63044 -34.22718 25.33128 1.563 854 0 7 9008 -1.01972 -36.98237 25.52389 1.636 1521 0 7 9009 -0.65806 -37.78107 23.93427 1.974 1537 0 7 9010 1.58196 -36.17835 21.90225 1.905 805 0 0 9011 0.48800 -31.88700 28.17900 0.000 0 0 7 9012 -0.79700 -32.19600 28.61400 0.000 0 0 7 9013 0.98700 -32.48700 27.04500 0.000 0 0 7 9014 -5.91360 -33.05281 22.85001 1.401 1929 0 0 9015 -1.57400 -33.10700 27.91400 0.000 0 0 7 9016 -6.83600 -34.21400 25.30000 0.000 0 0 7 9017 0.20400 -33.40200 26.34100 0.000 0 0 7 9018 -5.70500 -33.51600 24.63800 0.000 0 0 7 9019 0.89100 -36.36900 25.40200 0.000 0 0 7 9020 -1.08300 -33.72600 26.77300 0.000 0 0 7 9021 -4.49300 -33.37800 25.39600 0.000 0 0 7 9022 -0.93700 -38.08700 25.07300 0.000 0 0 3 9023 -3.62700 -33.33400 21.96800 0.000 0 0 7 9024 -0.54700 -36.67000 21.81000 0.000 0 0 3 9025 -3.35100 -32.91900 24.67400 0.000 0 0 7 9026 -0.21400 -36.87700 24.52100 0.000 0 0 7 9027 -1.85600 -34.85200 26.13900 0.000 0 0 7 9028 -2.83300 -34.05700 22.57100 0.000 0 0 7 9029 -1.20400 -35.89400 22.49600 0.000 0 0 7 9030 -1.11900 -35.81500 23.92100 0.000 0 0 7 9031 -2.68000 -34.01700 23.95000 0.000 0 0 7 9032 -0.33931 -38.77664 24.22100 1.411 1442 0 3 9033 -1.84700 -34.88600 24.62200 0.000 0 0 7 9034 -3.49207 -34.08035 21.64614 1.874 809 0 3 9035 -2.08400 -34.99700 21.91100 0.000 0 0 3