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 14.59809 -16.39263 18.56080 2.495 393 0 0 9002 11.50980 -14.73376 28.94335 1.400 1827 0 0 9003 14.36073 -11.37490 14.01552 1.701 209 0 0 9004 14.35093 -16.61511 19.74336 3.057 393 0 0 9005 22.69648 -19.10867 20.69998 1.867 388 0 0 9006 21.66455 -19.12089 24.28817 3.395 365 0 0 9007 15.04290 -16.74400 20.90359 3.034 1772 0 0 9008 17.04345 -20.51355 22.91629 4.179 1774 0 0 9009 8.68243 -15.44434 27.41773 1.606 1547 0 0 9010 17.94059 -20.97812 23.54440 4.599 391 0 0 9011 22.78041 -18.15778 24.73702 2.847 1390 0 0 9012 13.29861 -15.07561 21.10651 2.898 1772 0 0 9013 17.11477 -12.84224 17.34222 1.890 392 0 0 9014 10.92893 -15.17656 28.16517 1.400 1827 0 0 9015 15.28855 -12.06583 16.58569 2.388 1560 0 0 9016 19.79475 -20.56714 24.01102 4.558 391 0 0 9017 25.30532 -15.40199 24.28711 1.504 755 0 0 9018 11.44516 -9.24949 24.74332 1.614 1552 0 0 9019 15.49641 -15.71700 16.54711 1.861 392 0 0 9020 15.62698 -17.58517 21.36200 3.017 393 0 0 9021 24.82786 -15.17729 23.49187 1.400 365 0 0 9022 23.52247 -13.81530 24.94320 1.523 800 0 0 9023 18.24121 -13.19895 18.31807 1.401 392 0 0 9024 11.87628 -10.06622 23.99574 1.808 1757 0 0 9025 12.52825 -8.40654 24.74997 1.439 1851 0 0 9026 23.93221 -17.69154 26.88505 1.589 780 0 0 9027 14.25640 -9.30840 15.37501 1.400 1569 0 0 9028 21.86098 -18.71877 21.06499 1.811 365 0 0 9029 18.57552 -20.35279 23.91290 4.481 1778 0 0 9030 11.77831 -8.28552 25.36412 1.430 1869 0 0 9031 21.00218 -12.72189 20.24998 1.470 362 0 0 9032 16.60916 -18.29090 22.09695 3.151 391 0 0 9033 19.02238 -19.26311 28.23122 1.548 1781 0 0 9034 21.85345 -17.74509 24.52502 2.752 365 0 0 9035 14.95206 -12.48437 18.22432 1.997 1585 0 0 9036 24.41888 -14.05800 24.24043 1.556 800 0 0 9037 15.08763 -14.64653 18.82296 2.565 1563 0 0 9038 10.80975 -13.93151 27.66339 1.460 1834 0 0 9039 21.08595 -14.38891 22.13101 1.488 801 0 0 9040 14.81723 -14.96945 19.97280 3.043 1560 0 0 9041 20.30195 -19.11887 23.87888 3.851 365 0 0 9042 15.65501 -13.52431 18.38643 2.724 393 0 0 9043 13.90045 -17.00841 22.67818 1.735 1772 0 0 9044 20.80902 -13.55007 27.00610 1.622 1762 0 0 9045 12.82796 -13.51900 21.91414 2.503 1555 0 0 9046 20.55970 -15.01105 22.43151 1.940 365 0 0 9047 21.56299 -15.30411 24.22423 2.307 365 0 0 9048 20.11826 -16.69044 24.15213 3.162 1390 0 0 9049 22.61795 -16.60866 24.83321 2.425 780 0 0 9050 17.67367 -19.15225 23.22409 3.716 1772 0 0 9051 19.49313 -12.67884 20.59859 1.408 801 0 0 9052 18.57718 -18.24252 26.41991 2.192 1390 0 0 9053 14.73733 -11.61007 21.14935 1.781 1756 0 0 9054 12.13176 -10.54316 23.06418 1.929 1747 0 0 9055 20.52921 -15.16106 25.16248 2.423 1390 0 0 9056 11.76243 -13.10645 22.73920 2.060 1785 0 0 9057 13.80102 -13.09482 21.13051 2.696 1756 0 0 9058 23.36840 -14.38603 23.46696 1.400 800 0 0 9059 16.64002 -16.58785 21.70797 2.606 393 0 0 9060 20.00528 -14.67278 26.96581 1.400 1765 0 0 9061 21.28727 -15.97400 24.58942 2.672 1390 0 0 9062 9.83076 -14.39856 26.63386 1.438 1547 0 0 9063 20.32124 -13.48444 20.00956 1.810 364 0 0 9064 17.57595 -17.83300 22.62477 3.051 1772 0 0 9065 20.85067 -13.86488 21.24331 1.400 801 0 0 9066 14.49010 -10.64029 16.11116 1.533 1568 0 0 9067 18.69253 -16.22465 26.81497 1.627 1765 0 0 9068 18.44574 -13.57714 20.11968 2.064 393 0 0 9069 23.77371 -15.10085 24.28953 1.858 780 0 0 9070 16.80196 -13.33822 18.75119 2.210 331 0 0 9071 18.75064 -18.65222 27.67923 1.544 1781 0 0 9072 19.13307 -16.80641 23.35320 3.423 1772 0 0 9073 15.36261 -13.86470 20.02440 3.163 1560 0 0 9074 16.84101 -14.68401 21.47988 2.772 1772 0 0 9075 21.24819 -15.00902 23.28700 1.862 365 0 0 9076 17.14742 -13.65770 20.86476 2.785 393 0 0 9077 10.81400 -12.05200 24.46000 0.000 0 0 0 9078 16.02900 -14.01815 20.69079 3.006 393 0 0 9079 12.16900 -11.26200 22.58400 0.000 0 0 0 9080 11.60400 -12.26300 23.44500 0.000 0 0 0 9081 22.06800 -15.88400 25.39500 0.000 0 0 0 9082 21.94600 -14.51700 25.53600 0.000 0 0 0 9083 13.53700 -10.97500 20.54900 0.000 0 0 0 9084 20.95000 -16.71300 25.59200 0.000 0 0 0 9085 13.71086 -10.08278 21.81762 1.514 1747 0 0 9086 12.54229 -10.16773 20.26449 1.485 1556 0 0 9087 20.71600 -14.00700 25.86900 0.000 0 0 0 9088 14.18047 -11.38582 17.35600 1.486 1585 0 0 9089 21.89293 -14.44940 26.86223 1.400 1390 0 0 9090 14.64300 -11.52300 19.68900 0.000 0 0 0 9091 13.11900 -11.90500 21.66200 0.000 0 0 0 9092 19.72600 -16.18900 25.92100 0.000 0 0 0 9093 22.81167 -16.33466 26.08409 1.464 1390 0 0 9094 20.91700 -17.07857 21.14686 1.400 391 0 0 9095 19.58800 -14.80300 26.06300 0.000 0 0 0 9096 18.50500 -17.00800 26.12700 0.000 0 0 0 9097 10.45581 -13.13898 25.96797 1.521 1770 0 0 9098 14.20864 -11.76143 18.09987 1.439 1585 0 0 9099 18.86400 -18.33300 23.92300 0.000 0 0 0 9100 16.59000 -18.24100 24.99800 0.000 0 0 0 9101 19.77200 -14.16100 20.80100 0.000 0 0 0 9102 19.99500 -15.68100 20.88400 0.000 0 0 0 9103 10.93136 -13.02538 23.14128 1.772 1785 0 0 9104 16.76500 -12.55900 20.36900 0.000 0 0 0 9105 18.06100 -12.38100 21.15900 0.000 0 0 0 9106 17.81900 -17.67300 24.62800 0.000 0 0 0 9107 16.50800 -13.64100 19.84900 0.000 0 0 0 9108 22.34978 -15.46323 26.03040 1.594 1390 0 0 9109 19.03300 -16.46900 21.69700 0.000 0 0 0 9110 18.57000 -13.72100 21.50900 0.000 0 0 0 9111 13.78693 -11.95642 19.49515 1.620 1560 0 0 9112 18.44200 -15.75700 22.85200 0.000 0 0 0 9113 17.90200 -14.33700 22.44500 0.000 0 0 0 9114 20.28744 -16.50855 21.63006 1.880 391 0 0 9115 10.51100 -10.76900 24.79300 0.000 0 0 0 9116 13.74300 -10.29300 17.87400 0.000 0 0 0 9117 10.19500 -13.05900 25.10400 0.000 0 0 0 9118 15.94800 -11.52200 20.40400 0.000 0 0 0 9119 17.43600 -16.43500 23.57700 0.000 0 0 0 9120 16.88300 -13.98200 22.99100 0.000 0 0 0