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 20.81300 73.70730 20.26176 2.075 624 0 7 9002 16.56718 70.00607 17.99611 1.968 811 0 7 9003 19.84818 71.83888 18.80062 2.566 813 0 7 9004 17.89306 74.42057 20.51303 2.118 940 0 7 9005 16.96400 76.37300 23.16300 0.000 0 0 7 9006 17.06300 68.65923 16.71018 1.708 363 0 3 9007 18.47500 76.13600 23.20400 0.000 0 0 7 9008 18.39579 72.20756 24.01159 1.574 616 0 3 9009 18.23682 71.74225 23.16064 1.616 616 0 3 9010 20.71300 75.70700 21.86800 0.000 0 0 7 9011 18.09700 68.66700 16.67400 0.000 0 0 7 9012 19.16600 75.57900 21.90500 0.000 0 0 7 9013 16.47100 76.45300 24.50300 0.000 0 0 12 9014 17.53910 68.60442 18.62034 1.716 364 0 3 9015 21.16800 74.69400 20.79000 0.000 0 0 7 9016 19.46500 69.35500 16.86300 0.000 0 0 7 9017 19.13500 76.36200 24.18900 0.000 0 0 3 9018 16.79092 73.27728 21.04345 1.408 308 0 3 9019 21.11400 70.80000 18.16200 0.000 0 0 7 9020 18.98900 72.92700 22.57900 0.000 0 0 7 9021 18.86900 74.09500 21.52700 0.000 0 0 0 9022 20.99100 72.28900 18.60400 0.000 0 0 7 9023 17.25400 70.10100 18.45900 0.000 0 0 7 9024 17.77300 68.10200 15.63600 0.000 0 0 12 9025 19.72700 70.14900 17.94000 0.000 0 0 7 9026 19.87000 73.98500 20.29700 0.000 0 0 7 9027 19.01900 69.46100 20.25200 0.000 0 0 7 9028 17.63100 72.24300 20.74800 0.000 0 0 7 9029 20.05000 72.50000 19.85100 0.000 0 0 7 9030 18.67000 70.42400 19.05700 0.000 0 0 7 9031 18.38900 73.22100 23.84000 0.000 0 0 3 9032 18.62600 71.96000 19.51400 0.000 0 0 0 9033 17.11600 68.68400 17.87500 0.000 0 0 3 9034 17.45500 73.76900 20.93000 0.000 0 0 3 9035 18.19500 71.81100 22.01400 0.000 0 0 3