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 4.95800 16.50600 40.29300 0.000 0 0 7 9002 3.77400 15.71200 40.35400 0.000 0 0 7 9003 6.24700 15.89900 40.27300 0.000 0 0 7 9004 3.85800 14.28600 40.39300 0.000 0 0 7 9005 8.41800 3.96900 36.19500 0.000 0 0 0 9006 7.25061 10.91597 40.25727 2.907 1168 0 0 9007 9.55700 5.64900 35.21300 0.000 0 0 7 9008 6.32100 14.47400 40.31200 0.000 0 0 7 9009 5.14300 13.67500 40.37000 0.000 0 0 7 9010 7.65300 5.06900 36.24300 0.000 0 0 7 9011 11.18951 12.59894 40.49286 1.529 1159 0 3 9012 8.83200 13.97600 40.25400 0.000 0 0 7 9013 6.36100 5.20400 36.79600 0.000 0 0 0 9014 8.33000 6.14400 35.63900 0.000 0 0 7 9015 4.87928 10.27156 34.56138 1.400 2037 0 3 9016 7.13772 9.30710 35.32235 1.456 2039 0 3 9017 10.90441 12.50796 39.46963 1.401 763 0 3 9018 7.44100 13.63700 40.30300 0.000 0 0 7 9019 9.79500 12.92200 40.26300 0.000 0 0 7 9020 5.75700 6.47700 36.71800 0.000 0 0 7 9021 7.73800 7.42100 35.56000 0.000 0 0 7 9022 4.70800 10.92400 36.85500 0.000 0 0 7 9023 6.42900 7.58500 36.11000 0.000 0 0 7 9024 5.45400 12.17200 40.40100 0.000 0 0 7 9025 5.07700 11.96400 37.93500 0.000 0 0 7 9026 5.79300 8.95200 36.01900 0.000 0 0 7 9027 4.73400 11.46800 39.33100 0.000 0 0 7 9028 7.01000 12.28500 40.35700 0.000 0 0 7 9029 9.37300 11.56100 40.32000 0.000 0 0 7 9030 5.49100 9.70500 37.07300 0.000 0 0 7 9031 4.86000 9.96700 39.51700 0.000 0 0 7 9032 7.98500 11.22900 40.36600 0.000 0 0 0 9033 5.78300 9.27000 38.45300 0.000 0 0 7 9034 9.57400 4.29400 35.57600 0.000 0 0 3 9035 5.57100 9.32900 34.87100 0.000 0 0 3