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 44.41400 69.88300 60.56500 0.000 0 0 0 9002 37.27900 62.28300 71.07100 0.000 0 0 0 9003 38.39200 61.70200 71.67000 0.000 0 0 0 9004 43.30700 70.15200 61.09400 0.000 0 0 0 9005 44.88200 68.44400 60.60600 0.000 0 0 0 9006 37.40000 63.51700 70.43800 0.000 0 0 0 9007 39.61900 62.35800 71.63500 0.000 0 0 0 9008 44.25431 65.27702 65.62849 2.308 1129 0 0 9009 36.51825 63.00462 69.95049 1.416 1202 0 0 9010 45.75291 63.78165 67.91464 1.630 1129 0 0 9011 46.35500 72.00000 67.55200 0.000 0 0 0 9012 45.33900 68.06700 62.01100 0.000 0 0 0 9013 38.45215 65.67980 67.62900 1.450 3813 0 0 9014 38.62200 64.16700 70.39400 0.000 0 0 0 9015 45.45100 66.54800 62.11800 0.000 0 0 0 9016 39.73800 63.59100 70.99800 0.000 0 0 0 9017 38.69800 65.50900 69.69900 0.000 0 0 0 9018 44.42339 65.72115 67.12686 2.804 3791 0 0 9019 39.79699 62.11491 70.39563 1.401 1171 0 0 9020 45.66000 70.84700 67.48900 0.000 0 0 0 9021 43.26765 69.26518 60.95747 1.400 2785 0 0 9022 45.92700 66.05500 63.48200 0.000 0 0 0 9023 44.41800 70.81000 66.85000 0.000 0 0 0 9024 39.81800 64.67200 67.20700 0.000 0 0 0 9025 46.18500 69.68800 68.05700 0.000 0 0 0 9026 42.71000 63.56100 64.90300 0.000 0 0 0 9027 40.03400 65.72500 69.17200 0.000 0 0 0 9028 43.69900 69.61900 66.78000 0.000 0 0 0 9029 44.84100 66.34700 64.52800 0.000 0 0 0 9030 40.51100 65.29500 68.00800 0.000 0 0 0 9031 43.70100 62.93600 67.16300 0.000 0 0 0 9032 42.64600 63.75200 66.41500 0.000 0 0 0 9033 38.75499 65.28152 68.71744 1.847 3813 0 0 9034 45.46700 68.49600 67.99200 0.000 0 0 0 9035 45.15300 70.74000 60.01400 0.000 0 0 0 9036 44.23600 68.45900 67.33500 0.000 0 0 0 9037 45.04300 65.77200 65.93600 0.000 0 0 0 9038 44.88562 63.64621 67.47539 1.797 1134 0 0 9039 41.81000 65.86600 67.58300 0.000 0 0 0 9040 42.24900 67.10000 67.82200 0.000 0 0 0 9041 42.76200 65.17300 66.84200 0.000 0 0 0 9042 43.46000 67.20100 67.26200 0.000 0 0 0 9043 43.79500 66.02900 66.67200 0.000 0 0 0 9044 46.59900 68.65100 62.24500 0.000 0 0 0 9045 46.19200 64.66500 63.33400 0.000 0 0 0