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 8.22128 3.33959 28.61087 1.478 174 0 12 9002 11.83401 5.61400 26.82359 3.145 716 0 0 9003 14.23600 2.84500 30.78500 0.000 0 0 0 9004 11.50756 5.59866 25.50419 2.600 716 0 7 9005 7.84964 5.79594 19.55487 2.326 189 0 7 9006 8.25055 5.58298 20.85100 2.543 1120 0 7 9007 13.26300 2.27700 30.28100 0.000 0 0 0 9008 6.93627 6.43100 16.26006 1.931 321 0 9 9009 10.20363 5.62179 22.55660 2.704 171 0 0 9010 5.89000 4.35600 17.11400 0.000 0 0 7 9011 5.51700 3.33800 17.95500 0.000 0 0 7 9012 12.49300 2.71100 29.15200 0.000 0 0 0 9013 6.72400 5.40000 17.54700 0.000 0 0 7 9014 12.81900 3.99100 28.42600 0.000 0 0 0 9015 5.98800 3.38300 19.27200 0.000 0 0 7 9016 7.19700 5.44500 18.85000 0.000 0 0 7 9017 11.75100 4.52200 27.46800 0.000 0 0 0 9018 10.66900 2.26400 27.42100 0.000 0 0 0 9019 6.82400 4.42400 19.74000 0.000 0 0 7 9020 11.03000 3.48900 26.65000 0.000 0 0 7 9021 10.08807 6.29721 26.17811 1.590 174 0 3 9022 6.43400 2.99400 21.42700 0.000 0 0 7 9023 7.09500 4.16500 21.13100 0.000 0 0 7 9024 9.26096 2.80392 26.55932 1.885 174 0 3 9025 10.26400 3.86800 25.51300 0.000 0 0 7 9026 7.94200 5.05300 22.03600 0.000 0 0 7 9027 10.46100 5.10000 24.89800 0.000 0 0 7 9028 9.71000 5.47000 23.78100 0.000 0 0 7 9029 8.75000 4.61600 23.25400 0.000 0 0 7 9030 9.13477 3.10154 22.64943 1.890 698 0 3 9031 11.76400 1.71300 28.30600 0.000 0 0 3 9032 5.76300 2.53100 20.32200 0.000 0 0 3 9033 6.37300 2.38200 22.49400 0.000 0 0 4 9034 9.29800 3.01700 24.98200 0.000 0 0 3 9035 8.54800 3.38600 23.86300 0.000 0 0 3