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 11.72100 8.62900 25.66500 0.000 0 0 7 9002 11.08100 7.73800 26.49600 0.000 0 0 7 9003 11.10900 9.22600 24.54600 0.000 0 0 7 9004 8.14000 0.07600 17.00300 0.000 0 0 7 9005 7.12649 5.87257 21.23099 2.080 676 0 7 9006 9.77200 7.38800 26.25400 0.000 0 0 7 9007 9.27100 0.44200 17.77400 0.000 0 0 7 9008 6.87800 0.20400 17.50500 0.000 0 0 7 9009 8.12311 6.16774 22.33522 1.408 1625 0 12 9010 9.75500 8.88100 24.27200 0.000 0 0 7 9011 8.72643 0.91339 16.29832 1.408 671 0 3 9012 9.08800 9.45900 23.14100 0.000 0 0 0 9013 9.06800 7.93600 25.14900 0.000 0 0 7 9014 11.37665 9.46035 23.52415 1.400 1460 0 3 9015 9.06100 0.95200 19.08400 0.000 0 0 7 9016 2.99100 1.40900 21.16400 0.000 0 0 0 9017 6.67400 0.70000 18.78000 0.000 0 0 7 9018 7.74100 9.12400 22.84800 0.000 0 0 7 9019 7.73000 7.58700 24.88100 0.000 0 0 7 9020 4.50800 1.37700 23.15800 0.000 0 0 7 9021 5.41600 0.91400 19.49600 0.000 0 0 7 9022 7.78500 1.09200 19.61200 0.000 0 0 7 9023 7.01700 8.20600 23.67100 0.000 0 0 0 9024 4.23600 1.77900 21.80300 0.000 0 0 7 9025 9.90274 9.64793 24.04489 1.818 1430 0 3 9026 5.61600 1.44000 20.78200 0.000 0 0 7 9027 5.59900 7.79700 23.38500 0.000 0 0 0 9028 7.28500 1.66700 21.12200 0.000 0 0 7 9029 4.02500 3.49800 21.91100 0.000 0 0 0 9030 5.54500 6.53800 22.62400 0.000 0 0 0 9031 5.21200 4.31800 22.00200 0.000 0 0 7 9032 6.04000 6.45500 21.24500 0.000 0 0 0 9033 5.42400 5.16500 20.74100 0.000 0 0 0 9034 9.22400 6.51300 27.11400 0.000 0 0 3 9035 5.06400 5.36500 23.09200 0.000 0 0 3