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 40 9001 5.59305 9.27369 21.93172 1.847 914 0 0 9002 -2.19500 11.72600 24.32100 0.000 0 0 0 9003 6.31039 9.63806 21.84769 1.707 930 0 0 9004 -2.39328 12.13715 22.88718 1.677 620 0 0 9005 2.40294 8.27010 24.77613 2.992 720 0 0 9006 -1.77800 10.51500 26.28100 0.000 0 0 0 9007 4.15600 15.53700 25.90700 0.000 0 0 0 9008 2.40400 9.72650 24.41324 2.580 285 0 0 9009 8.34618 8.12621 23.18500 1.577 914 0 0 9010 0.10751 8.68395 28.45959 1.575 649 0 0 9011 -1.35100 11.04000 25.11500 0.000 0 0 0 9012 7.71400 13.71500 25.37600 0.000 0 0 0 9013 -0.95700 9.79300 27.08600 0.000 0 0 0 9014 5.29000 14.71700 25.85700 0.000 0 0 0 9015 9.01897 15.44296 25.01927 1.400 1135 0 0 9016 8.25600 10.18700 23.06000 0.000 0 0 0 9017 8.09500 11.38900 23.85300 0.000 0 0 0 9018 6.65400 13.07000 24.84100 0.000 0 0 0 9019 0.05200 10.90000 24.75400 0.000 0 0 0 9020 5.31000 13.55400 25.11200 0.000 0 0 0 9021 0.34200 9.56400 26.78500 0.000 0 0 0 9022 1.73392 11.98430 22.39804 1.407 932 0 0 9023 0.80300 11.30500 23.70500 0.000 0 0 0 9024 6.82200 11.89300 24.01500 0.000 0 0 0 9025 8.49021 8.87308 22.52919 1.402 744 0 0 9026 0.85800 10.08900 25.65900 0.000 0 0 0 9027 4.18600 12.88700 24.58800 0.000 0 0 0 9028 7.24311 10.07822 21.95432 1.899 914 0 0 9029 4.05400 5.72300 24.90600 0.000 0 0 0 9030 5.65900 11.28600 23.49600 0.000 0 0 0 9031 8.35826 12.84638 24.90249 1.767 717 0 0 9032 -0.99297 10.72529 27.62974 1.401 1288 0 0 9033 1.99400 10.76700 23.99200 0.000 0 0 0 9034 3.20900 11.02700 23.13700 0.000 0 0 0 9035 4.38300 11.74600 23.77700 0.000 0 0 0 9036 2.06800 10.06300 25.14000 0.000 0 0 0 9037 2.92900 7.84600 25.33500 0.000 0 0 0 9038 4.03500 7.20600 24.51600 0.000 0 0 0 9039 3.18200 9.30500 25.71000 0.000 0 0 0 9040 8.04100 15.00200 24.81700 0.000 0 0 0