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 30.29919 5.90832 13.78358 2.525 623 0 7 9002 34.01414 6.66065 12.08268 1.400 642 0 11 9003 33.00888 8.58517 13.85700 1.841 622 0 7 9004 27.56971 6.74744 13.46340 1.883 324 0 3 9005 29.58312 7.98800 11.54186 1.527 798 0 7 9006 29.63591 7.20257 13.85675 3.041 986 0 0 9007 26.54600 6.30200 16.69100 0.000 0 0 7 9008 32.35000 8.36700 8.54900 0.000 0 0 7 9009 28.47100 5.15500 17.39300 0.000 0 0 7 9010 30.00400 8.70800 17.78400 0.000 0 0 7 9011 31.07900 7.57300 8.56400 0.000 0 0 7 9012 32.69000 8.98500 7.54300 0.000 0 0 4 9013 33.19200 8.38400 9.79000 0.000 0 0 7 9014 28.05300 6.11700 16.75200 0.000 0 0 7 9015 25.93000 5.11100 16.22500 0.000 0 0 4 9016 30.20300 7.46300 16.92600 0.000 0 0 0 9017 28.52344 6.46058 12.76532 1.842 314 0 3 9018 33.74500 7.70800 12.04000 0.000 0 0 7 9019 32.18300 5.27800 10.86100 0.000 0 0 7 9020 32.86000 7.62600 10.83200 0.000 0 0 7 9021 29.02300 7.05300 16.04800 0.000 0 0 0 9022 31.39300 7.63200 15.98600 0.000 0 0 7 9023 30.06500 5.03100 14.98900 0.000 0 0 7 9024 31.66500 6.71400 10.87100 0.000 0 0 0 9025 32.89900 8.02400 13.27000 0.000 0 0 7 9026 30.81500 6.83800 9.63800 0.000 0 0 3 9027 29.62600 6.47700 14.76700 0.000 0 0 0 9028 28.72800 6.57000 13.53400 0.000 0 0 7 9029 28.30100 8.23900 15.74800 0.000 0 0 3 9030 30.40600 8.34100 11.89100 0.000 0 0 7 9031 29.49300 6.32600 12.23700 0.000 0 0 7 9032 30.78300 7.46200 14.59800 0.000 0 0 7 9033 31.65400 7.15000 13.38400 0.000 0 0 7 9034 30.82600 7.06100 12.10200 0.000 0 0 7 9035 29.70600 4.92400 12.15800 0.000 0 0 3