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 33 9001 19.45100 59.07700 54.67500 0.000 0 0 0 9002 18.79200 59.88100 53.78300 0.000 0 0 0 9003 19.74600 60.53500 52.86000 0.000 0 0 0 9004 19.48600 61.19000 51.87400 0.000 0 0 0 9005 21.01400 59.70200 52.98800 0.000 0 0 0 9006 22.11800 60.56900 52.77600 0.000 0 0 0 9007 20.94700 59.11400 54.45500 0.000 0 0 0 9008 21.80800 58.03800 54.96100 0.000 0 0 0 9009 21.88700 56.74100 54.52500 0.000 0 0 0 9010 22.79500 56.04800 55.15800 0.000 0 0 0 9011 23.37100 56.90500 56.08300 0.000 0 0 0 9012 24.40200 56.77600 57.05400 0.000 0 0 0 9013 25.07800 55.61400 57.24800 0.000 0 0 0 9014 24.68900 57.89100 57.79500 0.000 0 0 0 9015 24.02500 59.04000 57.60300 0.000 0 0 0 9016 23.03300 59.29900 56.71800 0.000 0 0 0 9017 22.73100 58.18200 55.95900 0.000 0 0 0 9018 21.57616 59.67700 55.40017 1.425 2738 0 0 9019 20.89857 60.08630 54.97859 1.453 1007 0 0 9020 17.13152 60.74476 55.29514 1.405 1006 0 0 9021 19.76369 61.43420 53.30728 1.528 1203 0 0 9022 20.77134 61.34485 53.16110 1.702 1198 0 0 9023 20.46080 62.35830 52.43954 1.491 1203 0 0 9024 16.51991 61.04539 54.25468 1.415 2275 0 0 9025 20.53949 56.00500 54.72746 1.400 6706 0 0 9026 22.49211 57.37460 55.92290 1.651 2738 0 0 9027 25.91046 56.04517 55.62792 1.400 2736 0 0 9028 21.52822 57.83099 53.52333 1.411 2738 0 0 9029 23.07080 58.48228 57.14172 1.850 410 0 0 9030 22.47523 60.17731 56.43020 1.512 405 0 0 9031 17.52400 60.31369 53.26920 1.443 1204 0 0 9032 20.76670 58.51754 53.76701 1.870 2738 0 0 9033 20.75007 60.59314 51.88550 1.699 1422 0 0