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 23.76886 -2.41600 34.38531 1.838 467 0 0 9002 17.44641 -1.55355 34.04236 1.732 263 0 0 9003 21.77969 11.33990 28.91417 3.169 1104 0 0 9004 22.67977 -0.21942 35.55864 2.446 425 0 0 9005 17.65889 6.24144 36.92796 5.739 272 0 0 9006 18.32903 -0.25025 33.82502 2.279 425 0 0 9007 15.41319 3.07200 33.33411 2.113 271 0 0 9008 15.01991 6.65157 30.74138 1.754 903 0 0 9009 17.44382 1.56468 33.66617 2.549 271 0 0 9010 15.78434 11.00247 32.63771 1.401 902 0 0 9011 20.68065 6.02535 36.23988 6.026 471 0 0 9012 13.95363 10.09745 24.83336 1.473 833 0 0 9013 23.61301 -1.62400 34.76794 2.094 684 0 0 9014 14.88677 6.35538 33.16061 3.101 671 0 0 9015 27.42211 1.09603 26.23100 1.640 703 0 0 9016 16.48748 11.40592 32.66332 1.403 913 0 0 9017 15.00078 6.42506 31.86805 2.305 671 0 0 9018 18.44178 1.13410 34.47546 3.226 271 0 0 9019 15.66835 5.86015 35.01249 4.456 271 0 0 9020 26.37832 5.75457 23.79350 1.409 1103 0 0 9021 16.99406 2.44478 33.81789 2.548 670 0 0 9022 17.30292 11.69869 32.88592 1.686 902 0 0 9023 18.57844 2.62300 34.90887 3.844 272 0 0 9024 18.13948 -1.34300 33.47087 1.739 425 0 0 9025 21.68735 0.86646 35.61800 2.897 471 0 0 9026 15.73916 1.47404 32.03950 1.400 263 0 0 9027 15.76730 6.25286 30.53266 1.717 671 0 0 9028 28.25452 1.48872 24.02339 1.426 697 0 0 9029 21.07926 6.12942 35.07011 5.323 902 0 0 9030 22.65500 8.43392 31.23044 3.807 902 0 0 9031 21.58404 10.07498 29.03063 2.647 1104 0 0 9032 27.08293 3.56388 24.28443 1.619 692 0 0 9033 18.35638 -0.89737 32.58341 1.470 680 0 0 9034 16.87990 1.36965 32.70169 1.755 670 0 0 9035 15.94887 6.03997 31.82241 2.200 671 0 0 9036 22.21170 9.15534 30.00615 3.147 902 0 0 9037 20.13731 11.08638 27.77738 1.630 893 0 0 9038 16.00951 5.90117 33.07608 2.965 671 0 0 9039 24.86821 3.97100 30.44862 1.650 470 0 0 9040 19.78529 2.54184 34.50208 3.950 670 0 0 9041 22.87998 -0.78202 34.20250 1.558 471 0 0 9042 26.94241 2.30481 24.10032 1.564 1083 0 0 9043 20.13612 9.03876 27.29499 1.644 901 0 0 9044 16.10646 7.27332 24.97440 1.400 1631 0 0 9045 20.59012 4.17560 33.19014 3.656 471 0 0 9046 16.92758 5.72776 31.87419 2.319 670 0 0 9047 21.36437 8.99273 29.08129 2.420 1104 0 0 9048 22.19562 -0.12365 34.35063 1.784 471 0 0 9049 23.17603 0.54789 21.64665 1.400 1071 0 0 9050 16.69796 7.43886 24.45763 1.890 903 0 0 9051 20.07779 2.61502 20.69500 1.695 1071 0 0 9052 21.49430 7.54129 30.66443 2.900 902 0 0 9053 20.70866 1.59736 21.44972 1.488 1071 0 0 9054 21.40548 6.98465 31.76419 3.333 902 0 0 9055 17.18600 5.63893 33.13789 3.063 670 0 0 9056 23.74336 2.76279 22.38469 1.685 1083 0 0 9057 21.16486 3.72381 21.03173 2.133 1105 0 0 9058 18.50405 4.72400 23.21463 2.654 1111 0 0 9059 21.67567 1.24835 22.18139 1.836 1071 0 0 9060 20.60248 5.86332 32.45473 3.655 691 0 0 9061 23.33172 4.44927 31.70846 2.235 691 0 0 9062 17.12691 6.02354 26.18549 1.502 903 0 0 9063 19.92994 2.96177 22.95023 2.542 645 0 0 9064 20.61841 6.77420 30.43391 2.530 902 0 0 9065 23.41469 3.71434 30.99300 1.528 691 0 0 9066 18.18202 5.87901 23.75650 2.348 1631 0 0 9067 20.95699 8.18200 28.85537 2.284 902 0 0 9068 17.49344 5.44399 27.40344 1.717 903 0 0 9069 18.49854 4.72400 24.39775 2.312 693 0 0 9070 22.28969 4.12515 18.75827 1.508 1073 0 0 9071 21.49402 0.57691 33.57013 1.801 471 0 0 9072 19.45397 7.28145 27.36335 1.809 903 0 0 9073 23.57800 1.77600 21.88100 0.000 0 0 0 9074 22.15600 3.51600 20.81300 0.000 0 0 0 9075 19.54475 6.99500 28.37970 1.936 693 0 0 9076 18.49024 6.16009 26.25136 1.992 693 0 0 9077 19.92293 5.48979 22.40251 1.645 1110 0 0 9078 24.07729 3.74220 21.67125 1.400 1098 0 0 9079 17.33823 1.95500 23.06592 1.500 645 0 0 9080 18.92882 5.81684 29.10847 2.298 693 0 0 9081 21.02000 3.07500 21.73900 0.000 0 0 0 9082 19.74400 3.69100 21.76100 0.000 0 0 0 9083 21.01687 3.88356 20.13259 1.822 1105 0 0 9084 22.70004 4.31357 19.44740 1.447 1076 0 0 9085 21.33300 2.00500 22.69000 0.000 0 0 0 9086 18.65600 5.86500 33.24300 0.000 0 0 0 9087 17.38600 3.87300 22.69700 0.000 0 0 0 9088 21.24600 0.81203 32.66301 1.761 471 0 0 9089 19.53800 7.60700 32.02000 0.000 0 0 0 9090 18.76100 3.22400 22.66100 0.000 0 0 0 9091 16.87781 5.03573 22.17995 1.405 809 0 0 9092 17.07600 5.22900 23.49000 0.000 0 0 0 9093 17.63832 5.80128 30.04400 1.846 670 0 0 9094 19.39000 6.38200 32.19300 0.000 0 0 0 9095 19.06400 2.15900 23.55800 0.000 0 0 0 9096 22.33300 3.93500 31.28700 0.000 0 0 0 9097 21.57100 5.29100 31.29300 0.000 0 0 0 9098 18.27100 6.78000 25.29700 0.000 0 0 0 9099 17.82600 5.46600 24.90300 0.000 0 0 0 9100 20.45800 7.17800 29.04200 0.000 0 0 0 9101 20.01500 5.27800 31.23900 0.000 0 0 0 9102 18.89700 6.99400 26.55000 0.000 0 0 0 9103 18.04400 4.39500 25.82300 0.000 0 0 0 9104 19.76600 6.16100 28.82500 0.000 0 0 0 9105 20.29656 3.51798 29.94788 1.408 676 0 0 9106 19.54000 5.24700 29.81800 0.000 0 0 0 9107 19.11200 5.91800 27.46100 0.000 0 0 0 9108 18.67400 4.61700 27.06800 0.000 0 0 0 9109 18.54176 3.45467 25.05285 1.783 677 0 0 9110 24.78100 1.16200 21.93500 0.000 0 0 0 9111 22.03800 4.40700 19.96900 0.000 0 0 0 9112 23.35400 2.84400 20.90800 0.000 0 0 0 9113 16.81700 6.45200 21.43900 0.000 0 0 0 9114 22.64500 1.37800 22.68400 0.000 0 0 0 9115 16.89900 6.52300 22.66400 0.000 0 0 0 9116 19.50012 4.34610 29.26068 1.653 691 0 0 9117 21.55500 2.21400 32.76600 0.000 0 0 0 9118 20.33600 1.54400 23.56400 0.000 0 0 0 9119 21.48600 2.67400 31.49000 0.000 0 0 0 9120 20.82200 2.13200 30.59800 0.000 0 0 0