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 -1.53938 54.86213 -7.20356 1.707 2606 0 3 9002 -4.09332 59.26585 -10.36316 2.837 577 0 0 9003 -0.59834 54.19715 -10.05049 2.116 574 0 7 9004 -3.21244 52.65960 -10.77391 1.605 1161 0 3 9005 -0.47768 53.79831 -11.89219 1.426 796 0 3 9006 -3.34900 54.67872 -9.93286 2.602 1573 0 0 9007 -3.40736 55.89022 -9.97600 2.981 1163 0 0 9008 -0.45814 54.26052 -11.05221 1.829 574 0 3 9009 -2.93154 56.06330 -12.81375 1.419 1147 0 0 9010 0.35451 52.78804 -9.13196 1.428 326 0 3 9011 -7.43900 57.47300 -10.79100 0.000 0 0 10 9012 -2.46800 53.88300 -12.31600 0.000 0 0 7 9013 0.59083 54.18404 -11.10044 1.489 574 0 3 9014 0.04300 54.03000 -9.32000 0.000 0 0 7 9015 -6.83600 58.48300 -9.98300 0.000 0 0 7 9016 -6.40100 56.69800 -8.41100 0.000 0 0 10 9017 -1.34891 52.60007 -10.24603 1.418 1192 0 3 9018 -2.25000 58.24200 -5.59100 0.000 0 0 8 9019 -0.18900 55.18100 -8.69500 0.000 0 0 10 9020 -2.11400 55.12300 -11.52000 0.000 0 0 7 9021 -5.82700 57.85700 -9.02200 0.000 0 0 7 9022 -0.37544 57.14758 -6.66095 1.401 318 0 10 9023 -1.46800 56.38500 -6.96700 0.000 0 0 3 9024 -2.65400 55.17800 -10.29900 0.000 0 0 0 9025 -1.50200 55.54100 -8.20500 0.000 0 0 7 9026 -2.33000 57.40100 -6.79800 0.000 0 0 0 9027 -4.64600 57.31200 -9.63800 0.000 0 0 0 9028 -3.27100 57.70900 -7.67000 0.000 0 0 0 9029 -3.81800 57.89200 -10.08200 0.000 0 0 0 9030 -3.59400 56.76400 -8.68600 0.000 0 0 0 9031 -2.29000 56.16900 -9.29700 0.000 0 0 7 9032 -1.06550 55.99281 -6.34619 1.469 328 0 10 9033 1.21600 53.86700 -9.92600 0.000 0 0 3 9034 -0.89600 53.08100 -9.40200 0.000 0 0 3 9035 -1.37200 58.04100 -4.81300 0.000 0 0 8