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 57 9001 3.96400 -2.17900 -8.48800 0.000 0 0 0 9002 4.53600 -1.04100 -7.66000 0.000 0 0 0 9003 5.43900 -1.58700 -6.55200 0.000 0 0 0 9004 4.63500 -2.49100 -5.60900 0.000 0 0 0 9005 3.73900 -1.66700 -4.69800 0.000 0 0 0 9006 2.48400 -2.14500 -4.33000 0.000 0 0 0 9007 1.71600 -1.39200 -3.44300 0.000 0 0 0 9008 0.47600 -1.84600 -3.09900 0.000 0 0 0 9009 2.15800 -0.18600 -2.91400 0.000 0 0 0 9010 3.41300 0.29300 -3.28500 0.000 0 0 0 9011 4.21700 -0.44600 -4.18900 0.000 0 0 0 9012 5.50700 0.08300 -4.68200 0.000 0 0 0 9013 6.08500 -0.42200 -5.79100 0.000 0 0 0 9014 7.33700 0.11400 -6.29000 0.000 0 0 0 9015 7.72800 -0.07900 -7.64100 0.000 0 0 0 9016 8.97700 0.35200 -8.06500 0.000 0 0 0 9017 9.82000 0.97900 -7.15300 0.000 0 0 0 9018 11.05700 1.36200 -7.56600 0.000 0 0 0 9019 9.45400 1.20600 -5.82400 0.000 0 0 0 9020 8.19300 0.79300 -5.40400 0.000 0 0 0 9021 7.73100 1.06300 -3.98500 0.000 0 0 0 9022 6.19200 1.24900 -3.93400 0.000 0 0 0 9023 5.83200 2.60200 -4.57900 0.000 0 0 0 9024 4.36200 2.95900 -4.35600 0.000 0 0 0 9025 0.18528 -1.54300 -4.68016 1.418 1610 0 0 9026 2.37410 -0.02090 -7.93010 1.400 279 0 0 9027 2.66919 -1.01134 -8.33477 1.413 279 0 0 9028 3.28026 -0.62884 -6.93414 2.182 279 0 0 9029 6.69311 0.98300 -8.47648 1.526 767 0 0 9030 3.84116 2.88700 -5.87535 1.651 919 0 0 9031 3.21883 -3.73772 -7.33488 1.400 1620 0 0 9032 8.11999 0.14690 -9.68666 1.418 295 0 0 9033 6.70719 -3.55000 -6.06796 1.401 603 0 0 9034 5.91503 -0.49360 -7.30172 2.206 296 0 0 9035 10.05589 -0.30500 -7.09715 1.566 636 0 0 9036 3.44970 -0.99959 -4.22455 2.828 889 0 0 9037 4.30179 -0.47800 -5.18095 2.927 889 0 0 9038 5.56435 -2.69700 -5.89387 2.230 327 0 0 9039 8.45060 0.68958 -4.09000 1.801 643 0 0 9040 9.65286 -0.95724 -7.75076 1.400 354 0 0 9041 7.42525 0.30195 -5.51700 2.558 767 0 0 9042 7.28590 2.35687 -2.87837 1.400 943 0 0 9043 8.84158 1.75478 -3.82013 1.515 639 0 0 9044 9.46508 1.66489 -4.58100 1.538 632 0 0 9045 10.61666 1.91511 -8.24281 1.408 354 0 0 9046 10.30451 2.87219 -7.00576 1.400 697 0 0 9047 5.74030 1.19290 -7.80679 1.400 296 0 0 9048 8.69928 0.52460 -6.56684 2.323 636 0 0 9049 4.74311 2.14005 -4.40300 2.471 767 0 0 9050 1.12864 0.14697 -3.12409 1.539 909 0 0 9051 4.00655 -1.04062 -2.59340 1.888 611 0 0 9052 3.46549 -2.92499 -3.00300 1.715 612 0 0 9053 2.64770 -1.30880 -4.01692 2.650 889 0 0 9054 4.48417 -2.69145 -6.50076 2.592 327 0 0 9055 4.06528 -4.61206 -6.56021 1.400 1724 0 0 9056 4.08145 -2.79050 -4.12500 1.945 611 0 0 9057 5.03846 -3.57980 -4.95754 1.836 611 0 0