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 120 9001 -10.44500 -32.20228 15.67800 1.422 1936 0 0 9002 -0.64007 -40.74110 15.70716 1.737 1553 0 0 9003 -8.95618 -39.81137 31.93637 1.642 861 0 0 9004 -12.64012 -38.10183 23.99882 2.645 836 0 0 9005 1.00293 -40.09746 15.74400 1.806 832 0 0 9006 -1.20035 -41.59298 16.65891 1.419 832 0 0 9007 -2.56952 -38.49973 15.07690 1.493 818 0 0 9008 2.09647 -40.16436 16.55281 1.730 832 0 0 9009 -12.16575 -38.41378 25.49455 3.150 1835 0 0 9010 2.99903 -40.14203 17.26851 1.865 813 0 0 9011 -10.08491 -41.94282 27.13849 1.779 846 0 0 9012 -6.60119 -38.36359 14.95638 1.917 1552 0 0 9013 -4.47906 -31.81348 13.64211 1.525 2582 0 0 9014 3.80500 -39.42209 18.10489 1.529 1443 0 0 9015 0.57280 -39.41439 16.06233 1.403 812 0 0 9016 -2.79488 -35.06382 13.45234 1.673 820 0 0 9017 2.12107 -43.43533 18.08210 1.430 1423 0 0 9018 -7.56209 -38.53300 16.18040 1.678 839 0 0 9019 -3.87186 -32.42961 13.74325 1.562 821 0 0 9020 -6.64364 -29.72987 15.43547 1.593 2573 0 0 9021 -12.10673 -36.61990 25.59403 1.976 1933 0 0 9022 6.77744 -37.97342 20.00224 3.262 1442 0 0 9023 -6.15491 -30.53175 15.12800 1.663 2579 0 0 9024 -6.04416 -38.13474 15.72041 1.490 820 0 0 9025 -2.38121 -35.68431 14.27161 1.640 2594 0 0 9026 2.54667 -39.07630 18.05719 1.478 832 0 0 9027 -11.87279 -35.65501 25.70694 1.400 1933 0 0 9028 -9.58382 -36.74532 18.16058 1.611 823 0 0 9029 -10.10603 -38.74866 29.82613 1.660 1836 0 0 9030 -9.84857 -40.73222 26.93957 1.552 851 0 0 9031 5.74809 -38.53170 19.48677 2.504 813 0 0 9032 -9.90937 -36.18120 18.84160 1.709 823 0 0 9033 -11.51851 -37.35560 21.03699 1.465 1932 0 0 9034 -1.61946 -42.12297 17.53592 1.400 1551 0 0 9035 -12.16921 -37.72243 22.80425 1.875 1932 0 0 9036 5.67514 -37.63995 19.83380 2.496 1443 0 0 9037 -11.04707 -36.18945 25.34041 1.400 1933 0 0 9038 -7.91774 -38.08213 30.46278 1.401 856 0 0 9039 -10.53606 -36.96606 25.12112 1.796 1932 0 0 9040 -10.13600 -36.68111 19.73393 1.440 827 0 0 9041 -10.02100 -39.72236 26.32243 1.529 846 0 0 9042 -8.74662 -38.18387 29.76064 1.400 1836 0 0 9043 -9.76053 -37.44185 24.05688 1.483 1932 0 0 9044 4.91592 -38.02337 19.49025 2.010 1443 0 0 9045 -11.31129 -37.66754 22.76914 1.413 836 0 0 9046 -9.98416 -38.34620 28.15922 1.400 851 0 0 9047 -1.75615 -39.05667 16.14165 1.562 1553 0 0 9048 1.69932 -29.61882 24.88534 1.412 804 0 0 9049 0.21181 -28.99574 26.05735 1.401 1873 0 0 9050 -10.31262 -38.23441 27.09732 1.708 1835 0 0 9051 -8.49004 -36.86466 24.57686 1.681 848 0 0 9052 -9.08423 -36.17537 25.04721 1.401 1932 0 0 9053 3.18713 -38.09637 19.05986 1.533 1443 0 0 9054 0.98368 -30.04432 25.92899 1.444 1873 0 0 9055 -7.01523 -36.16279 22.59903 1.531 1929 0 0 9056 0.11042 -29.88291 26.78562 1.400 1873 0 0 9057 -9.73829 -37.82465 25.66939 1.897 1835 0 0 9058 -6.02728 -34.82612 21.02465 1.413 824 0 0 9059 2.29655 -31.51187 27.35401 1.403 1875 0 0 9060 2.58308 -37.64321 19.41605 1.674 1443 0 0 9061 2.41844 -35.71006 24.36670 1.762 1456 0 0 9062 0.60480 -32.27478 29.53830 1.536 1527 0 0 9063 -6.77135 -35.51725 23.28903 1.436 1929 0 0 9064 -5.24417 -35.44104 21.93062 1.625 854 0 0 9065 -0.30646 -31.10938 26.84300 1.677 804 0 0 9066 1.01969 -31.07594 26.58576 1.730 1873 0 0 9067 -2.71979 -31.95846 27.51444 1.400 1917 0 0 9068 1.25509 -34.75900 26.09725 1.420 805 0 0 9069 -7.69574 -35.64961 25.35164 1.501 852 0 0 9070 1.51530 -31.68984 27.77414 1.551 1870 0 0 9071 -0.51842 -38.74604 23.41606 1.401 1537 0 0 9072 -2.56667 -32.66973 26.31602 1.914 1851 0 0 9073 -0.04208 -32.07724 29.06463 1.739 1869 0 0 9074 -1.48786 -31.62310 28.40756 1.707 1848 0 0 9075 1.29746 -37.38859 25.11145 1.400 1442 0 0 9076 -4.67850 -33.91543 23.04759 1.992 2589 0 0 9077 -4.61439 -34.61976 21.95890 2.069 854 0 0 9078 -7.56042 -36.78537 23.14338 1.582 1932 0 0 9079 -3.40839 -34.21808 25.88269 1.679 854 0 0 9080 -0.28969 -36.99669 23.07100 2.028 829 0 0 9081 -5.97021 -34.37443 23.65639 1.702 854 0 0 9082 0.32697 -34.03562 25.42413 1.484 805 0 0 9083 -7.03524 -33.36400 25.42707 1.710 1920 0 0 9084 -7.65262 -34.35612 25.17751 1.625 1835 0 0 9085 2.05317 -36.87335 20.53611 1.799 1442 0 0 9086 -1.66200 -32.74046 27.07852 2.244 804 0 0 9087 -4.68239 -33.54902 23.85096 2.072 2590 0 0 9088 3.30915 -36.62263 24.33080 1.400 1442 0 0 9089 -1.15726 -35.57359 25.51671 1.968 854 0 0 9090 0.09955 -36.02576 22.19846 2.089 805 0 0 9091 -5.07890 -34.04141 25.25482 1.614 854 0 0 9092 -0.49841 -35.66156 24.65313 2.422 854 0 0 9093 0.48800 -31.88700 28.17900 0.000 0 0 0 9094 -0.79700 -32.19600 28.61400 0.000 0 0 0 9095 1.98119 -36.07307 23.08698 1.717 1442 0 0 9096 -3.09370 -33.86630 24.73600 1.894 804 0 0 9097 0.98700 -32.48700 27.04500 0.000 0 0 0 9098 -1.57400 -33.10700 27.91400 0.000 0 0 0 9099 1.55534 -36.66375 21.24887 1.800 831 0 0 9100 0.20400 -33.40200 26.34100 0.000 0 0 0 9101 0.89100 -36.36900 25.40200 0.000 0 0 0 9102 -6.83600 -34.21400 25.30000 0.000 0 0 0 9103 -1.08300 -33.72600 26.77300 0.000 0 0 0 9104 -0.93700 -38.08700 25.07300 0.000 0 0 0 9105 -5.70500 -33.51600 24.63800 0.000 0 0 0 9106 -0.21400 -36.87700 24.52100 0.000 0 0 0 9107 -4.49300 -33.37800 25.39600 0.000 0 0 0 9108 -0.54700 -36.67000 21.81000 0.000 0 0 0 9109 -3.35100 -32.91900 24.67400 0.000 0 0 0 9110 -1.85600 -34.85200 26.13900 0.000 0 0 0 9111 -3.62700 -33.33400 21.96800 0.000 0 0 0 9112 -1.20400 -35.89400 22.49600 0.000 0 0 0 9113 -1.11900 -35.81500 23.92100 0.000 0 0 0 9114 -2.83300 -34.05700 22.57100 0.000 0 0 0 9115 -2.68000 -34.01700 23.95000 0.000 0 0 0 9116 -5.91360 -33.05281 22.85001 1.401 1929 0 0 9117 -1.84700 -34.88600 24.62200 0.000 0 0 0 9118 -0.33931 -38.77664 24.22100 1.411 1442 0 0 9119 -3.23800 -33.66101 20.99109 1.484 809 0 0 9120 -2.08400 -34.99700 21.91100 0.000 0 0 0