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 42 9001 33.94500 22.82400 27.57500 0.000 0 0 0 9002 33.92000 23.17000 26.04000 0.000 0 0 0 9003 33.88300 24.58900 25.92300 0.000 0 0 0 9004 32.62900 22.58600 25.38200 0.000 0 0 0 9005 32.89300 22.67500 23.99700 0.000 0 0 0 9006 32.56800 21.11400 25.75800 0.000 0 0 0 9007 32.54000 20.87800 27.26500 0.000 0 0 0 9008 32.37400 19.43900 27.71600 0.000 0 0 0 9009 33.68600 21.43600 27.89700 0.000 0 0 0 9010 35.24100 23.15000 28.14800 0.000 0 0 0 9011 35.06300 23.98800 29.17500 0.000 0 0 0 9012 36.02000 24.41900 29.87000 0.000 0 0 0 9013 33.81100 24.35600 29.43100 0.000 0 0 0 9014 33.06000 23.67200 28.49700 0.000 0 0 0 9015 31.84400 23.77200 28.47100 0.000 0 0 0 9016 30.89083 25.30691 29.06654 1.400 2173 0 0 9017 34.53156 22.28416 29.04968 1.400 2902 0 0 9018 30.40626 25.80788 28.15409 1.851 1061 0 0 9019 32.07505 26.15856 26.94765 1.564 4523 0 0 9020 34.66418 24.71941 29.58158 1.568 6651 0 0 9021 32.06572 24.74499 27.12277 2.227 6645 0 0 9022 35.47427 24.18600 25.68126 1.429 2181 0 0 9023 34.14084 19.80300 26.47293 1.410 3528 0 0 9024 32.79919 18.43298 27.58567 1.400 3780 0 0 9025 33.01917 19.89384 28.52399 1.416 1066 0 0 9026 37.81124 24.22917 23.19414 1.400 5300 0 0 9027 38.44267 26.77902 24.37245 1.419 2181 0 0 9028 30.60182 19.02098 27.22141 1.445 6643 0 0 9029 28.19938 27.16534 28.00742 1.553 6620 0 0 9030 29.36606 26.51493 28.81325 1.612 1058 0 0 9031 36.91595 24.46794 23.57914 1.400 5296 0 0 9032 31.49999 24.68859 26.29083 1.719 6645 0 0 9033 31.97156 22.62818 24.48099 1.446 5307 0 0 9034 34.60823 23.86718 24.63269 1.655 5295 0 0 9035 33.31074 22.25188 25.66631 2.256 6643 0 0 9036 36.19285 24.31303 24.55560 1.511 2181 0 0 9037 35.26970 24.43233 24.70376 1.852 2181 0 0 9038 32.49500 20.63225 24.86275 1.443 6643 0 0 9039 29.58460 25.73000 27.86801 1.648 1061 0 0 9040 30.56368 24.78714 25.52431 1.400 5295 0 0 9041 30.66758 25.24174 26.88927 1.761 4532 0 0 9042 32.14966 23.62377 25.87910 1.655 5295 0 0