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 45 9001 12.89700 35.10200 29.05500 0.000 0 0 0 9002 22.43700 26.43600 36.93500 0.000 0 0 0 9003 12.36200 33.45500 27.70900 0.000 0 0 0 9004 13.10700 33.96900 28.57000 0.000 0 0 0 9005 22.58200 25.36600 34.48000 0.000 0 0 0 9006 21.86000 26.19900 35.33600 0.000 0 0 0 9007 22.91700 24.09100 32.14000 0.000 0 0 0 9008 19.17100 20.69000 30.86200 0.000 0 0 0 9009 15.21100 33.74000 29.84100 0.000 0 0 0 9010 14.29800 33.20900 29.01700 0.000 0 0 0 9011 18.43881 27.98522 30.98962 2.382 373 0 0 9012 22.05300 25.14400 33.20500 0.000 0 0 0 9013 16.43016 28.24898 31.35205 2.890 373 0 0 9014 20.67100 26.82300 34.94100 0.000 0 0 0 9015 18.35823 27.05882 31.49471 2.661 373 0 0 9016 18.77600 21.77800 30.88300 0.000 0 0 0 9017 16.61500 32.70700 29.98300 0.000 0 0 0 9018 14.61100 31.83900 28.59300 0.000 0 0 0 9019 15.64231 27.56901 35.00510 1.757 1250 0 0 9020 16.01884 25.24477 29.43522 1.404 1719 0 0 9021 20.85000 25.72500 32.77300 0.000 0 0 0 9022 17.68600 26.76000 35.16100 0.000 0 0 0 9023 17.58300 29.39886 28.22024 1.502 1031 0 0 9024 15.78300 31.43800 29.11700 0.000 0 0 0 9025 20.15000 26.59200 33.65500 0.000 0 0 0 9026 18.25800 23.10800 30.87500 0.000 0 0 0 9027 17.28064 22.42561 31.58485 1.443 1719 0 0 9028 17.17000 23.42500 31.70100 0.000 0 0 0 9029 15.48000 27.92400 33.75800 0.000 0 0 0 9030 18.80200 24.06300 30.00300 0.000 0 0 0 9031 17.83300 27.18800 34.01800 0.000 0 0 0 9032 16.92429 24.97054 29.54919 1.422 373 0 0 9033 16.47700 30.12200 28.96500 0.000 0 0 0 9034 18.97600 27.17000 33.27700 0.000 0 0 0 9035 16.61300 24.71200 31.64000 0.000 0 0 0 9036 19.58300 27.95500 31.16200 0.000 0 0 0 9037 17.01800 29.43200 31.36900 0.000 0 0 0 9038 18.24900 25.35400 29.94400 0.000 0 0 0 9039 16.23200 29.25600 30.12100 0.000 0 0 0 9040 18.76600 27.72000 32.05200 0.000 0 0 0 9041 17.17000 25.70700 30.80300 0.000 0 0 0 9042 17.26500 28.02300 31.92700 0.000 0 0 0 9043 16.60900 27.09800 30.90500 0.000 0 0 0 9044 16.85600 27.74600 33.29400 0.000 0 0 0 9045 16.49100 27.91100 29.63700 0.000 0 0 0