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 11.23900 17.34400 3.98100 0.000 0 0 0 9002 12.86800 20.26300 12.90200 0.000 0 0 7 9003 6.84500 15.23000 12.61600 0.000 0 0 7 9004 13.60200 16.20300 4.49400 0.000 0 0 7 9005 12.14400 19.35500 13.63600 0.000 0 0 7 9006 13.23400 18.07200 3.12700 0.000 0 0 3 9007 13.12900 19.83800 11.59800 0.000 0 0 7 9008 9.16900 14.01200 13.07200 0.000 0 0 7 9009 10.81100 14.20300 5.26200 0.000 0 0 7 9010 10.70200 16.57400 5.06000 0.000 0 0 7 9011 13.80200 14.37600 6.19900 0.000 0 0 7 9012 10.62500 16.65100 13.77400 0.000 0 0 7 9013 12.93700 15.39800 5.48700 0.000 0 0 7 9014 12.63900 14.34500 13.09500 0.000 0 0 7 9015 12.73900 17.23400 3.84400 0.000 0 0 4 9016 11.90000 18.38200 12.73200 0.000 0 0 7 9017 8.32400 15.97500 12.09600 0.000 0 0 7 9018 11.44000 15.46000 5.83400 0.000 0 0 0 9019 9.34800 14.88400 12.29400 0.000 0 0 7 9020 11.16500 17.11800 12.80400 0.000 0 0 7 9021 12.51900 18.63200 11.47100 0.000 0 0 7 9022 13.59800 14.57300 7.70500 0.000 0 0 0 9023 11.79200 14.08500 11.86800 0.000 0 0 7 9024 9.69500 13.55700 9.72900 0.000 0 0 7 9025 12.58300 13.78200 10.59300 0.000 0 0 7 9026 10.62800 15.01400 11.49800 0.000 0 0 0 9027 9.81800 15.85500 7.78100 0.000 0 0 7 9028 12.08600 17.24100 7.69800 0.000 0 0 7 9029 12.07200 14.51300 8.06900 0.000 0 0 0 9030 11.27500 15.61300 7.33600 0.000 0 0 0 9031 11.17700 16.35700 11.60900 0.000 0 0 0 9032 10.41600 14.89000 9.99300 0.000 0 0 0 9033 9.00300 14.85400 7.23600 0.000 0 0 3 9034 11.86700 14.64500 9.53000 0.000 0 0 7 9035 9.71100 16.07100 9.24700 0.000 0 0 3