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 4.65043 29.98703 10.88548 1.426 565 0 0 9002 5.35952 29.14507 14.44499 1.649 637 0 0 9003 -4.56699 22.16840 12.66570 1.569 660 0 0 9004 7.20285 20.39347 25.60178 1.639 1100 0 0 9005 2.85863 13.07900 18.23101 1.648 704 0 0 9006 4.11765 29.20593 14.43776 1.530 1394 0 0 9007 4.07492 17.15366 14.45429 3.138 1180 0 0 9008 5.00211 18.04138 13.61300 3.002 1180 0 0 9009 0.50106 29.18523 15.91953 1.667 2222 0 0 9010 -1.48497 27.99216 16.85264 1.781 2226 0 0 9011 5.61913 13.86945 15.83437 1.549 1180 0 0 9012 9.57178 25.07505 15.54968 1.415 1234 0 0 9013 3.92456 20.51934 26.84366 1.847 1066 0 0 9014 -0.80591 28.27971 16.19885 1.883 2226 0 0 9015 -2.05508 27.72924 18.84747 1.607 2418 0 0 9016 8.46776 23.11024 13.78791 1.504 1234 0 0 9017 -1.78100 27.74367 17.95639 1.682 2418 0 0 9018 7.14587 18.36736 22.10413 1.402 676 0 0 9019 2.77846 28.97126 14.82922 1.615 637 0 0 9020 5.20371 30.37900 12.12703 1.693 1394 0 0 9021 -3.73285 22.01002 12.38589 1.400 644 0 0 9022 5.58428 18.75594 13.64200 2.833 629 0 0 9023 1.80439 28.48252 14.90574 1.401 609 0 0 9024 -2.79833 16.09476 18.36651 1.558 701 0 0 9025 4.84236 15.73026 25.46560 1.420 680 0 0 9026 -3.46317 17.16933 16.61345 1.400 695 0 0 9027 6.02727 20.29406 13.05837 2.342 1174 0 0 9028 8.80903 24.42491 15.12031 1.478 1173 0 0 9029 4.84892 15.28421 24.43999 1.676 672 0 0 9030 2.66566 29.13692 15.88317 1.854 637 0 0 9031 6.81708 17.80087 27.01606 2.351 680 0 0 9032 7.28653 18.87190 21.33831 1.410 676 0 0 9033 3.21025 13.93592 18.52215 1.403 703 0 0 9034 4.94891 17.98300 15.17658 2.461 668 0 0 9035 3.48658 21.76694 26.60361 1.736 1031 0 0 9036 6.00430 17.94220 27.33803 1.958 680 0 0 9037 2.68049 21.95465 26.59914 1.401 1031 0 0 9038 7.64697 24.60079 14.37387 1.816 1234 0 0 9039 6.36915 21.81725 25.04053 1.630 679 0 0 9040 -0.69500 27.62854 18.93977 1.579 688 0 0 9041 1.19700 28.33203 16.59656 1.670 636 0 0 9042 6.23065 21.08746 13.61300 2.232 1174 0 0 9043 7.78009 19.58173 27.20823 1.931 1101 0 0 9044 5.02329 15.02459 22.10395 1.631 1189 0 0 9045 7.42081 18.24615 26.12171 2.105 679 0 0 9046 8.21245 25.42613 16.08715 2.171 1155 0 0 9047 6.71589 22.66653 13.72315 2.474 637 0 0 9048 2.04389 28.51747 16.63842 1.603 636 0 0 9049 -0.89000 26.54951 17.55263 1.705 645 0 0 9050 8.51467 25.77112 17.66292 1.408 1155 0 0 9051 5.33122 19.03553 15.05452 2.371 1182 0 0 9052 -0.24397 26.56852 16.92083 1.564 645 0 0 9053 6.04669 20.55923 14.55453 2.325 1171 0 0 9054 8.31749 25.32998 19.09800 1.484 1156 0 0 9055 7.57730 25.91700 16.75810 1.761 1406 0 0 9056 5.25976 15.53100 21.26787 1.577 1189 0 0 9057 0.92973 27.64889 17.70716 1.773 2222 0 0 9058 4.28744 28.62876 20.02944 1.547 1047 0 0 9059 7.70809 24.57657 16.02318 1.884 1173 0 0 9060 5.58966 19.17163 16.11552 1.754 1182 0 0 9061 4.02966 15.16826 18.62401 1.431 1191 0 0 9062 1.66272 19.49374 27.25077 1.401 748 0 0 9063 6.75537 23.00536 14.76140 1.989 637 0 0 9064 2.61800 28.10951 17.63829 1.661 2222 0 0 9065 7.26057 20.61092 19.10880 1.718 669 0 0 9066 6.24219 22.12172 14.63802 2.275 629 0 0 9067 0.82342 27.23642 19.23893 2.049 2222 0 0 9068 3.90377 22.11817 24.21400 1.501 679 0 0 9069 5.93402 20.05500 15.95163 2.016 1182 0 0 9070 6.95854 20.73076 17.96668 1.586 1182 0 0 9071 3.89094 27.95018 19.66787 1.884 1405 0 0 9072 2.73527 27.85457 19.64762 1.805 1047 0 0 9073 4.34700 27.66000 20.36315 1.572 1078 0 0 9074 7.31419 24.94496 17.69567 2.170 1406 0 0 9075 7.51094 23.33418 18.67154 1.839 1173 0 0 9076 7.02789 21.60900 18.79405 1.862 669 0 0 9077 0.67790 26.12908 18.05170 1.469 685 0 0 9078 2.77784 21.00395 27.68239 1.401 1068 0 0 9079 1.55100 26.68176 18.92454 2.028 636 0 0 9080 6.64838 23.35297 16.44900 1.851 637 0 0 9081 2.06090 16.30677 18.06790 1.495 665 0 0 9082 6.61935 21.74516 18.03989 1.825 1173 0 0 9083 3.81833 26.89177 20.52938 1.698 1047 0 0 9084 3.75100 22.20425 22.41787 1.633 676 0 0 9085 2.99517 22.06415 22.14305 1.422 669 0 0 9086 5.70803 26.32308 18.18791 1.476 1406 0 0 9087 2.29693 22.73758 22.19388 1.400 1036 0 0 9088 2.05606 26.10247 20.43921 1.946 685 0 0 9089 6.19623 21.77845 17.24741 1.964 1173 0 0 9090 1.74482 25.36100 20.95795 1.414 685 0 0 9091 6.54500 23.49218 17.34228 2.109 637 0 0 9092 4.11301 23.11729 21.97774 1.646 676 0 0 9093 2.18267 26.08106 19.24049 2.021 685 0 0 9094 3.67267 26.45000 19.41336 2.394 636 0 0 9095 5.16225 25.91700 18.85865 1.912 1078 0 0 9096 4.16526 24.87461 21.34275 1.454 1036 0 0 9097 5.07336 21.65423 16.22443 1.579 633 0 0 9098 8.41376 23.74982 14.34001 1.483 1234 0 0 9099 0.78918 28.05395 15.10899 1.400 609 0 0 9100 0.00158 27.64227 15.41800 1.595 645 0 0 9101 2.40161 25.03495 20.60934 1.732 1036 0 0 9102 2.72498 23.63997 21.16791 1.596 1036 0 0 9103 4.12896 23.71504 21.27029 1.833 676 0 0 9104 5.75885 23.15672 19.37405 1.863 669 0 0 9105 8.14147 19.31200 20.18323 1.482 1182 0 0 9106 4.25685 29.07931 15.93635 1.403 637 0 0 9107 5.46845 24.59573 18.82005 2.178 1078 0 0 9108 5.38889 23.16034 17.94320 2.049 633 0 0 9109 -0.20045 28.24738 20.16239 1.577 1005 0 0 9110 4.38174 24.80772 19.23683 2.338 1078 0 0 9111 4.46234 23.27036 18.31401 1.706 633 0 0 9112 3.59669 29.00301 18.02121 1.400 1405 0 0 9113 5.56856 22.53832 25.22650 1.658 679 0 0 9114 3.81495 28.53821 17.05646 1.407 1405 0 0 9115 3.70563 28.90114 18.82200 1.451 1405 0 0 9116 7.73943 20.94187 20.51235 1.539 676 0 0 9117 7.92600 21.82425 19.51835 1.678 1161 0 0 9118 8.13935 22.57234 19.20386 1.554 1173 0 0 9119 6.81401 26.16620 17.25716 1.409 637 0 0 9120 1.04044 26.40354 21.25890 1.548 1036 0 0