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 10.81400 -12.05200 24.46000 0.000 0 0 7 9002 22.06800 -15.88400 25.39500 0.000 0 0 7 9003 21.94600 -14.51700 25.53600 0.000 0 0 7 9004 12.16900 -11.26200 22.58400 0.000 0 0 7 9005 11.60400 -12.26300 23.44500 0.000 0 0 7 9006 13.53700 -10.97500 20.54900 0.000 0 0 0 9007 20.95000 -16.71300 25.59200 0.000 0 0 7 9008 20.71600 -14.00700 25.86900 0.000 0 0 7 9009 10.45581 -13.13898 25.96797 1.521 1770 0 10 9010 14.64300 -11.52300 19.68900 0.000 0 0 0 9011 13.11900 -11.90500 21.66200 0.000 0 0 7 9012 19.72600 -16.18900 25.92100 0.000 0 0 7 9013 19.58800 -14.80300 26.06300 0.000 0 0 7 9014 13.71468 -11.70891 19.07449 1.406 1585 0 3 9015 18.50500 -17.00800 26.12700 0.000 0 0 7 9016 22.34978 -15.46323 26.03040 1.594 1390 0 3 9017 18.86400 -18.33300 23.92300 0.000 0 0 0 9018 16.59000 -18.24100 24.99800 0.000 0 0 7 9019 19.99500 -15.68100 20.88400 0.000 0 0 7 9020 19.77200 -14.16100 20.80100 0.000 0 0 7 9021 16.76500 -12.55900 20.36900 0.000 0 0 7 9022 18.06100 -12.38100 21.15900 0.000 0 0 7 9023 17.81900 -17.67300 24.62800 0.000 0 0 0 9024 13.26076 -11.54303 19.93100 1.663 1585 0 3 9025 16.50800 -13.64100 19.84900 0.000 0 0 7 9026 19.03300 -16.46900 21.69700 0.000 0 0 7 9027 18.57000 -13.72100 21.50900 0.000 0 0 7 9028 18.44200 -15.75700 22.85200 0.000 0 0 0 9029 10.51100 -10.76900 24.79300 0.000 0 0 10 9030 17.90200 -14.33700 22.44500 0.000 0 0 7 9031 13.74300 -10.29300 17.87400 0.000 0 0 12 9032 10.19500 -13.05900 25.10400 0.000 0 0 10 9033 15.94800 -11.52200 20.40400 0.000 0 0 3 9034 17.43600 -16.43500 23.57700 0.000 0 0 3 9035 16.88300 -13.98200 22.99100 0.000 0 0 12