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 21.39422 91.23100 44.75851 1.620 305 0 7 9002 24.29670 96.86278 44.57533 1.533 392 0 3 9003 21.76047 91.43893 43.31153 1.801 873 0 7 9004 19.35562 92.69362 43.59974 1.700 805 0 7 9005 20.55376 91.61663 42.45876 1.550 873 0 0 9006 17.63686 98.49170 45.99092 1.401 371 0 10 9007 16.30080 95.13250 46.04202 1.436 1251 0 7 9008 18.78406 94.23161 43.79491 2.302 877 0 7 9009 16.81592 97.94492 44.23445 1.562 98 0 10 9010 20.07807 97.54417 43.57267 1.400 405 0 3 9011 22.02192 93.90246 44.21450 1.581 600 0 7 9012 19.35990 96.94053 45.76996 1.837 403 0 7 9013 19.21615 95.39085 44.22466 2.304 877 0 7 9014 23.22186 95.38283 44.51555 1.467 576 0 3 9015 17.54704 98.59498 44.27098 1.474 405 0 10 9016 16.22414 94.68314 44.62099 1.669 1251 0 10 9017 18.47814 95.86168 42.72107 1.413 97 0 3 9018 16.74954 94.72146 43.31349 1.785 97 0 10 9019 20.43300 91.45800 43.57700 0.000 0 0 7 9020 22.43200 93.08200 44.08800 0.000 0 0 7 9021 16.78000 95.21000 45.16500 0.000 0 0 7 9022 17.76000 97.33200 44.17800 0.000 0 0 7 9023 22.53300 96.53900 44.82200 0.000 0 0 7 9024 17.62600 96.44700 45.30200 0.000 0 0 7 9025 20.98900 92.89900 43.92400 0.000 0 0 7 9026 23.25900 92.15500 43.94500 0.000 0 0 4 9027 22.07500 95.42900 44.58200 0.000 0 0 7 9028 18.90300 96.73800 43.50600 0.000 0 0 0 9029 18.98200 96.12800 45.63000 0.000 0 0 7 9030 18.32300 98.51400 44.65700 0.000 0 0 3 9031 19.87500 96.44900 44.59700 0.000 0 0 7 9032 20.20500 93.95400 44.08100 0.000 0 0 7 9033 22.87700 94.37000 44.42000 0.000 0 0 3 9034 17.08000 94.43400 44.01100 0.000 0 0 10 9035 20.73100 95.21600 44.41100 0.000 0 0 7