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 27.54800 38.50900 32.56800 0.000 0 0 0 9002 20.19048 31.03295 36.12848 2.200 1983 0 0 9003 27.75669 33.84104 30.41841 1.603 1755 0 0 9004 26.65000 37.34400 31.64100 0.000 0 0 0 9005 25.69700 37.76200 30.68800 0.000 0 0 0 9006 22.54913 30.25417 33.57462 1.944 820 0 0 9007 19.42500 31.14500 39.45300 0.000 0 0 0 9008 22.24986 30.55370 34.54231 1.501 1977 0 0 9009 22.84462 31.69552 29.23112 2.713 1992 0 0 9010 26.87400 36.01100 31.83800 0.000 0 0 0 9011 24.97600 36.85600 29.96300 0.000 0 0 0 9012 19.62000 32.30400 38.46900 0.000 0 0 0 9013 26.28329 38.39924 30.70484 1.460 1751 0 0 9014 18.28000 28.85100 36.98800 0.000 0 0 0 9015 26.95344 36.66766 32.70532 1.544 1975 0 0 9016 18.85600 29.81300 37.45500 0.000 0 0 0 9017 26.15200 35.05000 31.11300 0.000 0 0 0 9018 25.18200 35.47300 30.16100 0.000 0 0 0 9019 25.49020 31.68526 32.09585 1.675 1793 0 0 9020 24.43583 36.62891 29.08174 1.581 2007 0 0 9021 19.46209 29.69494 39.18818 1.533 816 0 0 9022 20.26400 31.79300 37.17500 0.000 0 0 0 9023 26.36700 33.67600 31.31500 0.000 0 0 0 9024 24.45900 34.51100 29.43600 0.000 0 0 0 9025 19.54300 30.63000 36.62600 0.000 0 0 0 9026 25.64900 32.77000 30.60400 0.000 0 0 0 9027 24.69300 33.18800 29.67000 0.000 0 0 0 9028 23.74800 32.01200 28.77500 0.000 0 0 0 9029 24.34700 30.73900 29.04600 0.000 0 0 0 9030 18.71000 31.22100 34.30500 0.000 0 0 0 9031 19.61400 30.33600 35.18200 0.000 0 0 0 9032 23.30361 34.20519 29.84793 1.429 2007 0 0 9033 18.78600 30.69100 32.85500 0.000 0 0 0 9034 22.10000 32.10400 29.51100 0.000 0 0 0 9035 26.88878 33.29964 31.89181 1.421 1967 0 0 9036 21.60462 31.98824 33.16887 1.426 1992 0 0 9037 21.07200 30.49000 34.73000 0.000 0 0 0 9038 20.20000 30.73300 32.42300 0.000 0 0 0 9039 21.20400 30.05800 33.26700 0.000 0 0 0 9040 18.77400 30.01800 38.78300 0.000 0 0 0 9041 23.64500 32.51000 27.44500 0.000 0 0 0 9042 19.72300 31.88700 30.56900 0.000 0 0 0 9043 20.56200 31.35000 31.27400 0.000 0 0 0 9044 22.02000 31.40700 30.87000 0.000 0 0 0 9045 22.73700 32.16700 31.86600 0.000 0 0 0