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 2.71712 12.68560 24.26883 1.809 932 0 7 9002 -0.42987 12.47145 23.32619 1.952 285 0 7 9003 3.65147 8.09698 23.93173 2.842 720 0 0 9004 1.34782 12.66896 23.70864 1.918 932 0 7 9005 0.57666 8.08026 27.33197 2.328 649 0 7 9006 2.43530 8.69200 27.04663 1.894 649 0 7 9007 -0.41400 11.90979 24.05219 2.065 651 0 7 9008 0.97015 8.45377 25.81533 2.901 313 0 0 9009 3.81640 9.94837 23.87719 2.668 719 0 0 9010 -0.16310 8.80514 27.59810 1.901 649 0 7 9011 2.40294 8.27010 24.77613 2.992 720 0 0 9012 3.93437 11.21500 24.08170 2.244 930 0 7 9013 3.00335 9.39472 27.08337 1.409 650 0 0 9014 -2.39001 11.87525 22.01190 1.412 294 0 3 9015 -1.06348 10.58994 25.77098 1.924 313 0 7 9016 0.10099 9.43976 25.16578 2.364 285 0 7 9017 0.73121 12.56066 21.89060 1.568 932 0 4 9018 -0.19323 9.78388 26.11600 2.132 651 0 7 9019 1.34069 9.95262 24.75122 2.316 650 0 7 9020 -2.19500 11.72600 24.32100 0.000 0 0 0 9021 -2.39328 12.13715 22.88718 1.677 620 0 3 9022 0.10751 8.68395 28.45959 1.575 649 0 3 9023 -1.77800 10.51500 26.28100 0.000 0 0 7 9024 -1.35100 11.04000 25.11500 0.000 0 0 7 9025 -0.95700 9.79300 27.08600 0.000 0 0 7 9026 1.86092 11.89966 22.48645 1.440 932 0 4 9027 3.20900 11.02700 23.13700 0.000 0 0 7 9028 0.80300 11.30500 23.70500 0.000 0 0 7 9029 0.34200 9.56400 26.78500 0.000 0 0 7 9030 1.99400 10.76700 23.99200 0.000 0 0 7 9031 0.05200 10.90000 24.75400 0.000 0 0 7 9032 3.18200 9.30500 25.71000 0.000 0 0 7 9033 2.06800 10.06300 25.14000 0.000 0 0 7 9034 0.85800 10.08900 25.65900 0.000 0 0 7 9035 -0.96544 10.66672 27.43000 1.427 1288 0 12