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 83 9001 19.87000 73.98500 20.29700 0.000 0 0 0 9002 17.45500 73.76900 20.93000 0.000 0 0 0 9003 18.98900 72.92700 22.57900 0.000 0 0 0 9004 18.67000 70.42400 19.05700 0.000 0 0 0 9005 19.72700 70.14900 17.94000 0.000 0 0 0 9006 19.46500 69.35500 16.86300 0.000 0 0 0 9007 18.09700 68.66700 16.67400 0.000 0 0 0 9008 19.01900 69.46100 20.25200 0.000 0 0 0 9009 20.71300 75.70700 21.86800 0.000 0 0 0 9010 19.16600 75.57900 21.90500 0.000 0 0 0 9011 18.47500 76.13600 23.20400 0.000 0 0 0 9012 16.96400 76.37300 23.16300 0.000 0 0 0 9013 21.16800 74.69400 20.79000 0.000 0 0 0 9014 18.86900 74.09500 21.52700 0.000 0 0 0 9015 20.05000 72.50000 19.85100 0.000 0 0 0 9016 18.62600 71.96000 19.51400 0.000 0 0 0 9017 17.63100 72.24300 20.74800 0.000 0 0 0 9018 18.19500 71.81100 22.01400 0.000 0 0 0 9019 18.38900 73.22100 23.84000 0.000 0 0 0 9020 17.77300 68.10200 15.63600 0.000 0 0 0 9021 17.11600 68.68400 17.87500 0.000 0 0 0 9022 17.25400 70.10100 18.45900 0.000 0 0 0 9023 21.11400 70.80000 18.16200 0.000 0 0 0 9024 20.99100 72.28900 18.60400 0.000 0 0 0 9025 19.13500 76.36200 24.18900 0.000 0 0 0 9026 16.47100 76.45300 24.50300 0.000 0 0 0 9027 16.82165 61.07914 14.03458 2.125 704 0 0 9028 16.92489 61.33279 12.28741 1.517 701 0 0 9029 15.98846 76.06660 23.02374 1.401 317 0 0 9030 17.16304 71.44209 17.99172 1.594 813 0 0 9031 17.40612 72.25595 18.03265 1.409 813 0 0 9032 17.62337 75.09100 19.89509 1.426 940 0 0 9033 17.10580 71.27104 22.16586 1.400 343 0 0 9034 16.33265 74.50349 21.22922 1.408 308 0 0 9035 18.23682 71.74225 23.16064 1.616 616 0 0 9036 19.00948 73.73027 23.09443 2.081 1680 0 0 9037 17.84446 74.78597 21.19535 2.254 940 0 0 9038 16.81382 75.24482 21.50439 1.782 290 0 0 9039 15.73277 69.20770 18.31982 1.438 307 0 0 9040 18.89171 71.22186 19.86259 2.747 623 0 0 9041 17.74547 71.46319 20.08924 2.226 308 0 0 9042 17.53910 68.60442 18.62034 1.716 364 0 0 9043 17.38087 60.54947 17.30160 1.607 397 0 0 9044 16.73133 62.90357 14.84054 1.403 704 0 0 9045 19.58434 63.47324 17.18100 1.803 640 0 0 9046 18.79378 62.18766 16.28874 2.104 666 0 0 9047 19.17387 64.39149 15.74706 1.406 704 0 0 9048 18.90480 64.31483 20.03387 1.402 644 0 0 9049 21.09354 63.21589 19.85514 1.417 635 0 0 9050 20.11636 63.48065 19.44588 1.589 640 0 0 9051 20.47634 62.11202 17.12064 1.667 666 0 0 9052 18.77076 62.11901 17.11115 1.679 361 0 0 9053 20.64145 61.23127 16.68544 1.678 666 0 0 9054 19.85135 61.63063 16.60789 1.763 666 0 0 9055 20.04634 60.78974 16.20938 1.895 666 0 0 9056 19.16828 60.85124 15.89866 2.214 666 0 0 9057 22.35027 70.04970 18.48136 1.400 646 0 0 9058 20.34865 74.56081 21.25053 2.267 940 0 0 9059 18.94723 72.65356 20.06950 2.895 308 0 0 9060 22.05356 60.80879 17.27244 1.788 397 0 0 9061 19.47989 63.68253 18.07100 1.624 364 0 0 9062 19.22310 67.32812 16.24060 1.405 640 0 0 9063 18.49174 69.57388 19.11700 2.086 343 0 0 9064 20.17653 70.93342 18.15504 2.416 813 0 0 9065 21.47250 60.63256 16.64838 1.906 397 0 0 9066 21.31014 61.89439 17.36698 1.683 397 0 0 9067 20.47492 61.82892 11.51543 1.456 700 0 0 9068 20.34189 69.73711 16.59933 1.762 641 0 0 9069 14.86403 64.47288 12.73633 1.400 807 0 0 9070 15.62953 62.82106 13.23135 1.558 164 0 0 9071 17.79328 62.80782 15.45907 1.421 363 0 0 9072 18.69349 63.40670 15.77877 1.419 363 0 0 9073 16.05988 62.15792 13.37564 1.681 159 0 0 9074 17.54262 60.73536 12.43007 1.978 159 0 0 9075 19.23844 69.15112 15.99594 1.638 671 0 0 9076 18.74199 74.26696 17.45232 1.400 941 0 0 9077 21.19334 76.15456 21.12343 1.526 1671 0 0 9078 20.53333 70.50986 17.36558 2.205 643 0 0 9079 20.14814 72.67718 17.32440 1.446 813 0 0 9080 19.80938 60.66538 11.73258 2.202 700 0 0 9081 20.30853 60.60427 12.51729 1.666 666 0 0 9082 21.45414 75.50287 22.19950 1.685 1642 0 0 9083 18.28888 75.22247 24.56092 1.639 318 0 0