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 60 9001 39.35139 21.58310 12.44255 1.625 845 0 0 9002 38.57787 21.03445 14.08345 1.939 810 0 0 9003 39.37070 26.69181 20.51754 1.414 1637 0 0 9004 36.73218 20.74006 21.79716 2.133 1974 0 0 9005 39.53213 22.89486 14.21998 2.551 845 0 0 9006 38.26787 24.56084 17.39359 3.429 1969 0 0 9007 36.08879 24.47964 19.59504 1.913 1828 0 0 9008 34.88084 24.06157 20.35083 1.400 1886 0 0 9009 37.66095 24.11938 13.29220 1.605 845 0 0 9010 36.08244 20.11902 23.27026 1.819 2560 0 0 9011 35.32583 24.04831 16.70999 1.401 810 0 0 9012 39.16931 24.35369 18.85169 2.804 1969 0 0 9013 35.48843 20.96101 19.91548 3.185 1823 0 0 9014 41.09756 24.04414 18.88930 1.975 1637 0 0 9015 42.66398 21.65927 23.55188 1.799 1905 0 0 9016 38.21347 24.32434 18.46757 3.164 1971 0 0 9017 36.46319 24.01356 17.46702 2.304 810 0 0 9018 39.24514 21.38474 23.47127 1.500 1974 0 0 9019 38.38390 22.55116 13.26952 1.706 845 0 0 9020 37.02254 21.21600 17.30526 1.989 1971 0 0 9021 41.36534 22.08170 23.50400 1.972 1972 0 0 9022 38.89279 21.60664 14.99384 2.232 1969 0 0 9023 36.24528 21.85343 18.78200 2.669 811 0 0 9024 37.10184 24.77739 14.86402 1.650 834 0 0 9025 35.13385 22.86735 20.15447 2.134 1888 0 0 9026 36.67729 22.92817 18.78200 2.926 1828 0 0 9027 35.41826 21.71007 19.38099 2.874 811 0 0 9028 43.89812 23.91694 23.20713 1.400 1891 0 0 9029 38.20403 21.55943 16.04816 2.022 810 0 0 9030 39.46057 22.34892 21.62535 1.621 1882 0 0 9031 36.05492 21.67212 19.96979 2.918 1971 0 0 9032 39.41675 23.52756 19.84834 2.157 1971 0 0 9033 38.04531 22.90812 16.90831 2.419 810 0 0 9034 40.81071 23.22312 20.74932 1.929 1882 0 0 9035 37.75508 21.95817 20.96572 1.994 1885 0 0 9036 37.51148 21.98975 17.05739 2.076 810 0 0 9037 43.43586 21.15222 23.27603 1.429 1945 0 0 9038 41.70800 22.00100 24.33600 0.000 0 0 0 9039 42.54900 22.59800 23.39000 0.000 0 0 0 9040 40.36000 21.73200 24.04800 0.000 0 0 0 9041 42.92200 23.61300 21.11100 0.000 0 0 0 9042 42.03300 22.93600 22.12600 0.000 0 0 0 9043 39.83100 22.05700 22.80200 0.000 0 0 0 9044 35.20600 22.65100 19.26000 0.000 0 0 0 9045 43.35826 23.04964 22.10061 1.890 1970 0 0 9046 35.58800 22.74700 17.91800 0.000 0 0 0 9047 38.54400 22.35800 15.70400 0.000 0 0 0 9048 41.86720 24.49950 21.47739 1.565 1637 0 0 9049 40.67900 22.66200 21.83700 0.000 0 0 0 9050 37.26600 22.78000 16.16000 0.000 0 0 0 9051 38.60300 21.92400 22.23600 0.000 0 0 0 9052 36.20600 22.52900 20.24000 0.000 0 0 0 9053 36.94600 22.71900 17.54800 0.000 0 0 0 9054 38.65300 22.42600 20.94700 0.000 0 0 0 9055 39.92800 22.86900 20.72900 0.000 0 0 0 9056 37.57100 22.50700 19.89100 0.000 0 0 0 9057 37.93700 22.59900 18.53400 0.000 0 0 0 9058 38.54000 21.22382 22.75661 1.494 1974 0 0 9059 44.09400 23.83300 21.36700 0.000 0 0 0 9060 42.44900 23.98400 19.92400 0.000 0 0 0