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 65 9001 30.06500 5.03100 14.98900 0.000 0 0 0 9002 29.62600 6.47700 14.76700 0.000 0 0 0 9003 28.72800 6.57000 13.53400 0.000 0 0 0 9004 29.49300 6.32600 12.23700 0.000 0 0 0 9005 29.70600 4.92400 12.15800 0.000 0 0 0 9006 30.82600 7.06100 12.10200 0.000 0 0 0 9007 30.40600 8.34100 11.89100 0.000 0 0 0 9008 31.66500 6.71400 10.87100 0.000 0 0 0 9009 32.18300 5.27800 10.86100 0.000 0 0 0 9010 30.81500 6.83800 9.63800 0.000 0 0 0 9011 31.07900 7.57300 8.56400 0.000 0 0 0 9012 32.35000 8.36700 8.54900 0.000 0 0 0 9013 32.69000 8.98500 7.54300 0.000 0 0 0 9014 33.19200 8.38400 9.79000 0.000 0 0 0 9015 32.86000 7.62600 10.83200 0.000 0 0 0 9016 33.74500 7.70800 12.04000 0.000 0 0 0 9017 32.89900 8.02400 13.27000 0.000 0 0 0 9018 31.65400 7.15000 13.38400 0.000 0 0 0 9019 30.78300 7.46200 14.59800 0.000 0 0 0 9020 31.39300 7.63200 15.98600 0.000 0 0 0 9021 30.20300 7.46300 16.92600 0.000 0 0 0 9022 30.00400 8.70800 17.78400 0.000 0 0 0 9023 29.02300 7.05300 16.04800 0.000 0 0 0 9024 28.30100 8.23900 15.74800 0.000 0 0 0 9025 28.05300 6.11700 16.75200 0.000 0 0 0 9026 28.47100 5.15500 17.39300 0.000 0 0 0 9027 26.54600 6.30200 16.69100 0.000 0 0 0 9028 25.93000 5.11100 16.22500 0.000 0 0 0 9029 26.72107 6.63266 14.29400 1.847 323 0 0 9030 29.29898 7.95910 8.31462 1.401 341 0 0 9031 28.06518 6.41782 12.83833 1.661 324 0 0 9032 29.58312 7.98800 11.54186 1.527 798 0 0 9033 27.67680 9.04220 14.47585 2.091 952 0 0 9034 28.64492 9.47978 13.73339 1.750 986 0 0 9035 26.08874 5.87173 15.25172 1.699 292 0 0 9036 29.41305 4.49172 15.29452 1.758 1732 0 0 9037 29.16527 5.66776 15.72778 2.421 1731 0 0 9038 28.17784 6.42641 15.87243 2.641 952 0 0 9039 30.42116 6.70606 7.84100 1.454 339 0 0 9040 33.91789 5.32083 12.02618 1.400 642 0 0 9041 32.57882 4.37755 10.45183 1.400 343 0 0 9042 30.41260 4.38171 13.80500 1.950 324 0 0 9043 31.99940 8.01291 15.03300 1.935 986 0 0 9044 30.70487 7.28170 13.79970 2.797 986 0 0 9045 30.60822 5.70941 13.00592 2.642 324 0 0 9046 33.28305 8.31716 11.56784 2.307 674 0 0 9047 34.35566 8.09522 12.54519 1.642 622 0 0 9048 31.73252 9.39574 6.79819 1.512 703 0 0 9049 31.07349 8.39307 7.52930 1.414 341 0 0 9050 31.50191 7.18489 9.22400 2.228 343 0 0 9051 32.10326 7.05386 11.64654 2.800 642 0 0 9052 27.96210 11.52224 13.88246 1.407 924 0 0 9053 27.80550 11.01625 15.34283 1.400 986 0 0 9054 28.07608 6.99709 15.07545 2.629 324 0 0 9055 28.19569 9.63300 15.16016 1.637 986 0 0 9056 34.11140 9.53412 12.95982 1.609 650 0 0 9057 28.18348 10.42985 13.88803 1.557 316 0 0 9058 28.94722 8.70690 13.64110 2.127 316 0 0 9059 30.22410 9.16076 13.28422 1.475 798 0 0 9060 33.17739 8.93446 14.14616 1.610 985 0 0 9061 28.91895 7.02098 17.43660 2.139 952 0 0 9062 27.64778 5.48921 17.73559 1.738 1728 0 0 9063 26.63309 6.55269 17.81922 1.724 952 0 0 9064 28.85676 4.34078 16.49100 1.443 1728 0 0 9065 30.11100 3.22567 14.08759 1.540 1843 0 0