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 49.88077 34.98828 22.39080 2.027 537 0 7 9002 48.38802 35.07650 25.40879 1.433 1457 0 11 9003 50.76879 34.35417 24.87129 1.729 169 0 7 9004 51.35700 30.51200 23.67300 0.000 0 0 7 9005 51.45500 41.66100 25.51900 0.000 0 0 7 9006 47.84241 36.20114 28.08377 1.401 513 0 3 9007 53.16900 31.91300 22.60000 0.000 0 0 7 9008 50.84600 31.73600 21.67000 0.000 0 0 7 9009 50.22740 35.94000 24.03427 1.549 536 0 7 9010 50.28500 33.02800 21.09000 0.000 0 0 7 9011 51.66000 31.83800 22.95100 0.000 0 0 7 9012 52.28559 37.82188 25.76404 1.527 169 0 3 9013 50.64500 39.86900 27.09200 0.000 0 0 7 9014 51.21100 40.25100 25.85900 0.000 0 0 7 9015 50.47670 35.94000 25.74743 2.081 536 0 7 9016 48.14800 33.75200 22.30200 0.000 0 0 7 9017 49.53100 35.08900 28.63000 0.000 0 0 7 9018 50.75200 42.50900 26.23000 0.000 0 0 9 9019 49.79800 35.37100 21.38800 0.000 0 0 7 9020 48.27500 35.28900 27.77800 0.000 0 0 7 9021 49.66200 34.01800 22.09300 0.000 0 0 0 9022 52.19900 42.00000 24.64700 0.000 0 0 4 9023 50.39500 38.50800 27.37000 0.000 0 0 7 9024 51.56100 39.29500 24.91300 0.000 0 0 7 9025 51.30500 33.02000 23.84600 0.000 0 0 7 9026 51.95300 33.15000 25.08600 0.000 0 0 7 9027 50.54500 35.74700 27.92100 0.000 0 0 7 9028 50.34300 34.00600 23.45400 0.000 0 0 7 9029 48.71100 36.18800 26.77100 0.000 0 0 7 9030 51.62400 34.19300 25.97900 0.000 0 0 7 9031 51.30300 37.94000 25.19600 0.000 0 0 7 9032 50.64100 37.53800 26.37300 0.000 0 0 7 9033 50.13000 36.13900 26.65100 0.000 0 0 7 9034 49.95800 34.98100 24.40100 0.000 0 0 7 9035 50.57400 35.08900 25.65300 0.000 0 0 7