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 14.84900 2.83200 15.51800 0.000 0 0 7 9002 13.71200 3.58600 15.21500 0.000 0 0 7 9003 6.70100 15.41000 19.93300 0.000 0 0 7 9004 7.83700 14.81200 20.50800 0.000 0 0 7 9005 6.39800 15.17800 18.57900 0.000 0 0 7 9006 14.84600 5.53400 16.02800 0.000 0 0 7 9007 13.68100 4.95800 15.50200 0.000 0 0 7 9008 10.10143 5.89943 16.33604 1.637 1311 0 3 9009 8.66200 13.97400 19.73300 0.000 0 0 7 9010 7.22500 14.34100 17.80100 0.000 0 0 7 9011 15.96800 3.46500 16.06300 0.000 0 0 12 9012 8.07347 14.15123 17.39953 1.904 582 0 10 9013 11.24400 5.29300 15.19000 0.000 0 0 7 9014 12.55700 5.77100 15.28300 0.000 0 0 7 9015 11.60203 9.34000 13.47981 1.770 803 0 3 9016 8.36500 13.72200 18.37300 0.000 0 0 7 9017 15.94500 4.79400 16.28300 0.000 0 0 4 9018 12.76500 7.09300 15.14800 0.000 0 0 7 9019 10.22700 6.24600 15.09700 0.000 0 0 7 9020 10.63500 12.19400 13.00400 0.000 0 0 7 9021 11.64322 10.29274 12.77599 1.751 453 0 3 9022 11.31000 10.97500 13.16700 0.000 0 0 7 9023 12.51889 8.49388 15.12826 1.661 1293 0 12 9024 9.27000 12.81900 17.57200 0.000 0 0 7 9025 11.77200 7.94000 14.91100 0.000 0 0 7 9026 10.50400 7.53800 14.88200 0.000 0 0 7 9027 11.25300 10.31300 14.41500 0.000 0 0 7 9028 9.14647 11.85950 16.39203 1.692 582 0 3 9029 12.08500 10.37400 11.98600 0.000 0 0 3 9030 9.87000 12.72900 14.04900 0.000 0 0 10 9031 10.21700 12.26400 18.13600 0.000 0 0 4 9032 9.00300 12.66000 16.26800 0.000 0 0 10 9033 12.10900 9.25600 14.67300 0.000 0 0 12 9034 9.79300 12.07200 15.29000 0.000 0 0 10 9035 10.48500 10.85500 15.46800 0.000 0 0 3