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 12.60184 2.87300 38.63398 3.162 1474 0 0 9002 13.06823 8.64798 41.53000 1.870 766 0 0 9003 11.41800 5.85024 39.91770 2.615 1474 0 0 9004 11.79327 1.80760 37.71749 2.990 1474 0 0 9005 14.81980 5.30880 38.71825 1.697 725 0 0 9006 10.59822 6.86653 40.49057 2.655 1473 0 0 9007 12.32481 4.29572 38.53627 3.053 1474 0 0 9008 14.11955 7.58163 38.56080 1.618 738 0 0 9009 11.03709 1.81377 36.88780 2.902 2031 0 0 9010 6.19891 0.07622 39.16303 1.763 2030 0 0 9011 10.94998 7.75344 40.99379 2.761 763 0 0 9012 7.91545 9.28558 44.02087 1.524 1498 0 0 9013 7.11361 10.54335 44.08503 1.406 1581 0 0 9014 10.10710 7.58738 40.76600 2.774 1501 0 0 9015 9.38497 7.38450 40.14100 2.580 764 0 0 9016 10.46603 5.73641 38.84109 2.037 1474 0 0 9017 13.87871 8.68771 40.35194 1.416 761 0 0 9018 9.01680 11.14403 43.75439 1.721 1529 0 0 9019 11.15898 4.86392 38.22145 2.329 1474 0 0 9020 8.52075 9.02925 43.15704 1.686 1479 0 0 9021 5.58462 1.02433 39.00288 1.400 2030 0 0 9022 11.84818 1.20856 34.27589 1.400 717 0 0 9023 10.28797 2.10473 35.88436 2.194 710 0 0 9024 9.88662 12.04426 43.16516 1.406 1580 0 0 9025 10.74202 8.91690 41.53863 2.775 763 0 0 9026 8.87669 6.81872 38.89016 2.116 1474 0 0 9027 10.97834 2.97500 36.78940 2.743 1474 0 0 9028 8.15855 10.14938 43.25800 2.274 1581 0 0 9029 2.20786 16.41999 40.74236 1.400 1604 0 0 9030 7.77668 4.66711 34.07206 1.558 2004 0 0 9031 8.41700 7.80392 39.68903 2.665 764 0 0 9032 6.30831 6.57552 39.90600 1.510 1479 0 0 9033 9.44308 5.86772 38.03553 1.900 1474 0 0 9034 11.17602 4.09104 36.77146 2.715 764 0 0 9035 10.33071 5.03720 37.64336 2.107 764 0 0 9036 1.48154 9.65824 42.22699 1.434 1438 0 0 9037 2.67234 9.07592 40.06526 1.618 1995 0 0 9038 9.40796 8.91398 41.21826 2.802 763 0 0 9039 8.66318 6.42354 38.09689 2.042 1474 0 0 9040 11.37849 10.70236 40.57669 1.631 766 0 0 9041 13.11244 4.69636 36.47354 1.552 717 0 0 9042 7.82961 7.10576 38.27151 2.443 1474 0 0 9043 9.34437 5.39725 37.27165 2.070 1474 0 0 9044 10.81597 10.28930 41.08410 2.121 763 0 0 9045 4.54586 15.24115 41.25478 1.631 1604 0 0 9046 7.91551 9.18043 36.73966 1.660 1170 0 0 9047 3.38241 11.18604 38.18141 1.527 1433 0 0 9048 3.78163 9.94038 41.10496 2.013 1433 0 0 9049 9.49601 10.08507 41.56575 2.900 763 0 0 9050 8.61154 9.17372 40.67889 2.663 1479 0 0 9051 6.75902 5.00198 35.30063 1.644 2009 0 0 9052 6.55779 10.42289 41.43369 2.305 1581 0 0 9053 7.03378 7.56900 37.96991 2.908 764 0 0 9054 7.83369 9.15304 39.97982 2.690 1479 0 0 9055 4.98791 14.71340 40.14053 2.279 1581 0 0 9056 4.50664 10.62933 41.01340 2.288 1482 0 0 9057 7.00008 18.26548 40.19273 1.400 1152 0 0 9058 3.44168 10.14951 39.30888 1.561 1996 0 0 9059 6.20541 5.39987 35.73121 1.653 2009 0 0 9060 10.49898 11.81274 40.71522 2.106 766 0 0 9061 9.82534 4.46844 36.38700 2.588 1474 0 0 9062 8.64888 4.54723 35.62840 2.267 2031 0 0 9063 3.65791 9.52318 40.08000 2.036 1995 0 0 9064 6.37093 4.33101 37.37407 1.413 2009 0 0 9065 4.56884 11.64617 40.96880 2.089 1581 0 0 9066 7.79500 6.00976 36.61030 2.615 764 0 0 9067 5.16831 10.62398 38.34747 2.322 1996 0 0 9068 12.04598 5.37408 35.62160 1.536 712 0 0 9069 9.50595 11.34818 41.36066 2.822 1580 0 0 9070 5.22429 8.62708 39.74043 2.159 1479 0 0 9071 6.95558 9.53018 39.43491 2.990 1170 0 0 9072 6.66802 13.60300 40.05861 2.111 1581 0 0 9073 8.54500 12.05465 40.60737 2.558 1168 0 0 9074 7.69473 10.39059 41.26405 2.697 1581 0 0 9075 4.95800 16.50600 40.29300 0.000 0 0 0 9076 7.37164 7.66816 36.38700 2.267 2039 0 0 9077 3.77400 15.71200 40.35400 0.000 0 0 0 9078 6.29820 8.74868 36.79657 2.354 2039 0 0 9079 7.38081 10.25100 40.20343 3.048 1479 0 0 9080 6.24700 15.89900 40.27300 0.000 0 0 0 9081 6.55895 8.83347 37.93078 2.631 1170 0 0 9082 3.85800 14.28600 40.39300 0.000 0 0 0 9083 9.55700 5.64900 35.21300 0.000 0 0 0 9084 8.41800 3.96900 36.19500 0.000 0 0 0 9085 6.32100 14.47400 40.31200 0.000 0 0 0 9086 7.56053 16.59048 39.41008 1.430 1152 0 0 9087 8.83200 13.97600 40.25400 0.000 0 0 0 9088 3.83951 14.98902 41.99854 1.400 1604 0 0 9089 5.14300 13.67500 40.37000 0.000 0 0 0 9090 7.65300 5.06900 36.24300 0.000 0 0 0 9091 8.33000 6.14400 35.63900 0.000 0 0 0 9092 9.79500 12.92200 40.26300 0.000 0 0 0 9093 7.44100 13.63700 40.30300 0.000 0 0 0 9094 6.36100 5.20400 36.79600 0.000 0 0 0 9095 7.73800 7.42100 35.56000 0.000 0 0 0 9096 5.75700 6.47700 36.71800 0.000 0 0 0 9097 9.52752 2.85378 35.59149 1.778 2031 0 0 9098 4.70800 10.92400 36.85500 0.000 0 0 0 9099 6.42900 7.58500 36.11000 0.000 0 0 0 9100 5.79300 8.95200 36.01900 0.000 0 0 0 9101 3.66178 8.16972 40.33709 1.779 1995 0 0 9102 7.72811 15.54000 39.81184 1.767 1165 0 0 9103 5.07700 11.96400 37.93500 0.000 0 0 0 9104 5.45400 12.17200 40.40100 0.000 0 0 0 9105 3.93658 12.13300 41.63307 1.680 1581 0 0 9106 9.37300 11.56100 40.32000 0.000 0 0 0 9107 3.73787 12.98102 41.59344 1.589 1581 0 0 9108 7.01000 12.28500 40.35700 0.000 0 0 0 9109 5.71395 17.19068 39.95787 1.400 1147 0 0 9110 4.73400 11.46800 39.33100 0.000 0 0 0 9111 5.49100 9.70500 37.07300 0.000 0 0 0 9112 8.79149 3.35442 35.15129 1.594 710 0 0 9113 7.98500 11.22900 40.36600 0.000 0 0 0 9114 4.86000 9.96700 39.51700 0.000 0 0 0 9115 5.78300 9.27000 38.45300 0.000 0 0 0 9116 10.90441 12.50796 39.46963 1.401 763 0 0 9117 7.13772 9.30710 35.32235 1.456 2039 0 0 9118 4.87928 10.27156 34.56138 1.400 2037 0 0 9119 9.57400 4.29400 35.57600 0.000 0 0 0 9120 5.57100 9.32900 34.87100 0.000 0 0 0