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 27.08293 3.56388 24.28443 1.619 692 0 3 9002 16.75911 6.79381 22.87902 1.669 824 0 8 9003 26.94241 2.30481 24.10032 1.564 1083 0 3 9004 18.59480 4.80700 23.75052 2.570 1631 0 7 9005 17.32945 6.09014 22.84156 1.836 1111 0 10 9006 21.37875 0.72400 21.84891 1.517 700 0 7 9007 23.17603 0.54789 21.64665 1.400 1071 0 7 9008 20.70866 1.59736 21.44972 1.488 1071 0 7 9009 19.43340 4.66864 22.50466 2.246 1103 0 7 9010 18.79096 3.73453 23.77270 2.535 659 0 7 9011 23.74336 2.76279 22.38469 1.685 1083 0 7 9012 17.23680 5.31270 22.40477 1.707 1630 0 10 9013 22.38780 2.44505 22.13082 2.109 1103 0 7 9014 19.92781 2.25997 23.25982 2.215 678 0 7 9015 20.72200 2.53113 22.59023 2.468 1103 0 7 9016 17.33823 1.95500 23.06592 1.500 645 0 3 9017 18.54176 3.45467 25.05285 1.783 677 0 3 9018 23.57800 1.77600 21.88100 0.000 0 0 7 9019 17.15003 2.95889 22.84894 1.757 808 0 3 9020 19.92293 5.48979 22.40251 1.645 1110 0 10 9021 22.15600 3.51600 20.81300 0.000 0 0 7 9022 18.76100 3.22400 22.66100 0.000 0 0 7 9023 19.06400 2.15900 23.55800 0.000 0 0 7 9024 19.74400 3.69100 21.76100 0.000 0 0 7 9025 22.28969 4.12515 18.75827 1.508 1073 0 3 9026 21.02000 3.07500 21.73900 0.000 0 0 7 9027 21.33300 2.00500 22.69000 0.000 0 0 7 9028 20.45707 5.07017 21.73598 1.636 1105 0 4 9029 21.01687 3.88356 20.13259 1.822 1105 0 4 9030 18.03600 1.87674 23.48007 1.662 659 0 3 9031 24.78100 1.16200 21.93500 0.000 0 0 3 9032 22.03800 4.40700 19.96900 0.000 0 0 4 9033 23.35400 2.84400 20.90800 0.000 0 0 3 9034 22.64500 1.37800 22.68400 0.000 0 0 4 9035 20.33600 1.54400 23.56400 0.000 0 0 3