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 45 9001 35.12862 -1.67578 -76.08102 1.448 1281 0 0 9002 37.62688 -9.90146 -78.95129 1.501 2021 0 0 9003 36.38704 -4.29084 -80.22329 1.440 2041 0 0 9004 33.44152 2.74955 -77.99604 3.442 1281 0 0 9005 36.01209 -6.94703 -79.12782 1.902 2021 0 0 9006 37.42443 -7.81601 -79.70335 1.826 2021 0 0 9007 29.26788 0.66578 -77.74493 1.782 549 0 0 9008 35.82368 -4.59061 -79.42632 1.882 2041 0 0 9009 30.36880 0.87073 -76.29081 1.639 1261 0 0 9010 36.65125 -0.00070 -76.18898 1.766 1292 0 0 9011 34.61050 1.24651 -77.63495 2.641 564 0 0 9012 36.96675 -5.01803 -79.78857 1.665 2041 0 0 9013 30.20614 0.23706 -78.77821 1.633 568 0 0 9014 32.94009 -4.29017 -77.92625 1.794 1256 0 0 9015 37.22120 0.59900 -78.37562 1.511 2043 0 0 9016 35.47050 -4.16404 -77.79772 1.413 2041 0 0 9017 33.17416 -3.42292 -75.93105 1.414 1281 0 0 9018 35.13765 0.29269 -77.51909 2.493 564 0 0 9019 31.48134 -0.40106 -77.75253 1.979 1281 0 0 9020 36.74900 -8.25500 -79.36100 0.000 0 0 0 9021 35.36300 -8.33300 -79.05100 0.000 0 0 0 9022 33.03867 -1.50395 -77.86651 1.979 568 0 0 9023 37.41600 -6.99400 -79.37900 0.000 0 0 0 9024 35.39503 -7.58905 -78.11081 1.408 1096 0 0 9025 34.69200 -7.13200 -78.77000 0.000 0 0 0 9026 36.72900 -5.78500 -79.09200 0.000 0 0 0 9027 31.93600 1.82300 -78.15300 0.000 0 0 0 9028 33.73300 1.74700 -76.71000 0.000 0 0 0 9029 35.34200 -5.86700 -78.78400 0.000 0 0 0 9030 31.92300 -5.20500 -77.94100 0.000 0 0 0 9031 31.75092 -3.57800 -78.11814 1.597 1256 0 0 9032 33.01500 -5.64700 -78.23300 0.000 0 0 0 9033 32.80400 1.17400 -77.56100 0.000 0 0 0 9034 30.46878 -0.65031 -76.62794 1.429 1281 0 0 9035 34.29600 -4.86700 -78.44200 0.000 0 0 0 9036 31.88400 -1.22000 -77.60500 0.000 0 0 0 9037 38.72500 -6.95400 -79.67200 0.000 0 0 0 9038 32.91000 -0.29100 -77.71800 0.000 0 0 0 9039 32.41700 -2.46700 -77.82800 0.000 0 0 0 9040 34.57600 -3.54600 -78.37100 0.000 0 0 0 9041 34.11000 -1.04600 -78.02400 0.000 0 0 0 9042 33.76400 -2.39800 -78.08900 0.000 0 0 0 9043 33.34500 -6.98500 -78.44800 0.000 0 0 0 9044 30.43100 -1.08700 -77.31100 0.000 0 0 0 9045 35.48000 -0.47500 -78.24000 0.000 0 0 0