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 30.60182 19.02098 27.22141 1.445 6643 0 3 9002 30.89083 25.30691 29.06654 1.400 2173 0 8 9003 34.53156 22.28416 29.04968 1.400 2902 0 7 9004 35.47427 24.18600 25.68126 1.429 2181 0 12 9005 34.60823 23.86718 24.63269 1.655 5295 0 4 9006 34.14084 19.80300 26.47293 1.410 3528 0 4 9007 33.42075 21.58624 26.49640 2.284 6643 0 7 9008 35.08661 24.02658 26.69036 1.509 2901 0 12 9009 33.32204 20.68801 28.24410 1.719 2902 0 7 9010 31.52598 19.39669 27.03387 1.407 3780 0 3 9011 32.68539 19.28589 28.61558 1.400 1066 0 4 9012 32.44263 19.84905 26.63438 1.673 6643 0 3 9013 32.41209 24.24810 28.16506 2.309 1062 0 7 9014 32.49500 20.63225 24.86275 1.443 6643 0 4 9015 32.73343 21.70800 27.63275 2.156 6643 0 7 9016 31.97156 22.62818 24.48099 1.446 5307 0 8 9017 33.08260 24.76153 28.79990 1.695 2180 0 3 9018 32.14966 23.62377 25.87910 1.655 5295 0 10 9019 36.02000 24.41900 29.87000 0.000 0 0 0 9020 33.54283 18.72866 26.73697 1.400 3780 0 12 9021 33.34606 22.57483 24.68075 1.798 5295 0 8 9022 32.37400 19.43900 27.71600 0.000 0 0 7 9023 35.06300 23.98800 29.17500 0.000 0 0 7 9024 33.81100 24.35600 29.43100 0.000 0 0 0 9025 31.84400 23.77200 28.47100 0.000 0 0 0 9026 32.56800 21.11400 25.75800 0.000 0 0 0 9027 32.54000 20.87800 27.26500 0.000 0 0 7 9028 33.06000 23.67200 28.49700 0.000 0 0 7 9029 33.68600 21.43600 27.89700 0.000 0 0 7 9030 33.92000 23.17000 26.04000 0.000 0 0 7 9031 33.94500 22.82400 27.57500 0.000 0 0 7 9032 32.89300 22.67500 23.99700 0.000 0 0 8 9033 35.24100 23.15000 28.14800 0.000 0 0 3 9034 33.88300 24.58900 25.92300 0.000 0 0 3 9035 32.62900 22.58600 25.38200 0.000 0 0 10