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 36.24528 21.85343 18.78200 2.669 811 0 0 9002 37.10184 24.77739 14.86402 1.650 834 0 10 9003 41.44005 22.52013 22.68849 1.760 1972 0 7 9004 39.03577 23.59207 19.71044 2.266 1882 0 7 9005 43.89812 23.91694 23.20713 1.400 1891 0 3 9006 36.76076 21.67010 17.86123 2.232 811 0 7 9007 38.73232 23.18563 15.99116 2.522 1969 0 7 9008 37.51148 21.98975 17.05739 2.076 810 0 7 9009 43.43586 21.15222 23.27603 1.429 1945 0 3 9010 41.70800 22.00100 24.33600 0.000 0 0 7 9011 42.54900 22.59800 23.39000 0.000 0 0 7 9012 40.72970 22.81142 25.06772 1.415 1882 0 3 9013 40.36000 21.73200 24.04800 0.000 0 0 7 9014 37.92943 23.21303 19.70540 2.410 1971 0 7 9015 42.92200 23.61300 21.11100 0.000 0 0 7 9016 42.03300 22.93600 22.12600 0.000 0 0 7 9017 37.32124 20.81656 22.20309 1.850 1885 0 3 9018 35.20600 22.65100 19.26000 0.000 0 0 7 9019 39.83100 22.05700 22.80200 0.000 0 0 7 9020 35.58800 22.74700 17.91800 0.000 0 0 7 9021 38.54400 22.35800 15.70400 0.000 0 0 7 9022 37.26600 22.78000 16.16000 0.000 0 0 7 9023 41.77696 24.42034 21.31587 1.610 1637 0 3 9024 40.67900 22.66200 21.83700 0.000 0 0 7 9025 38.60300 21.92400 22.23600 0.000 0 0 7 9026 36.20600 22.52900 20.24000 0.000 0 0 7 9027 36.94600 22.71900 17.54800 0.000 0 0 7 9028 37.57100 22.50700 19.89100 0.000 0 0 7 9029 38.65300 22.42600 20.94700 0.000 0 0 7 9030 39.92800 22.86900 20.72900 0.000 0 0 7 9031 34.62175 22.72608 17.94689 1.581 1828 0 3 9032 37.93700 22.59900 18.53400 0.000 0 0 7 9033 38.00127 21.26468 21.98780 1.696 1974 0 3 9034 44.09400 23.83300 21.36700 0.000 0 0 4 9035 42.44900 23.98400 19.92400 0.000 0 0 3