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 3.66457 -1.73874 27.45521 1.562 1659 0 0 9002 4.23719 -0.77027 14.73434 2.944 1284 0 0 9003 10.97449 -2.61203 16.77711 1.491 661 0 0 9004 0.75518 6.26704 22.11903 4.672 1441 0 0 9005 -0.59908 0.83410 21.45089 5.013 1660 0 0 9006 4.03274 0.45920 15.13355 3.378 1284 0 0 9007 5.14428 -1.13190 14.79994 2.477 656 0 0 9008 13.94560 7.42600 27.65636 1.420 1427 0 0 9009 1.34281 10.51775 24.04466 1.493 1041 0 0 9010 7.82896 8.99306 16.51557 1.544 676 0 0 9011 7.59073 11.42738 18.03348 1.468 353 0 0 9012 2.66208 7.48327 18.85276 4.356 1441 0 0 9013 8.89899 13.76186 21.02933 1.758 1459 0 0 9014 2.27554 7.85842 24.44795 2.839 1441 0 0 9015 4.56702 9.09613 18.96059 3.215 676 0 0 9016 2.91556 8.42486 25.04379 2.492 1441 0 0 9017 4.21568 1.96717 16.27595 3.786 673 0 0 9018 3.80638 9.85729 26.76639 1.400 1433 0 0 9019 6.59887 9.92628 19.75967 2.752 1440 0 0 9020 7.55534 9.41554 17.61005 1.592 316 0 0 9021 2.04222 -0.36192 23.13443 2.977 1659 0 0 9022 5.16871 0.20600 15.32655 2.778 1284 0 0 9023 7.48929 10.55700 20.25313 2.394 1439 0 0 9024 5.45216 9.12601 19.78348 2.810 1441 0 0 9025 2.49493 6.32917 22.08238 3.957 1636 0 0 9026 0.69816 1.90929 21.35448 4.581 1660 0 0 9027 3.52894 -2.20400 23.50022 1.676 1285 0 0 9028 3.62604 3.08247 18.55441 4.005 1286 0 0 9029 14.84564 7.64788 25.92328 1.400 1716 0 0 9030 2.90917 -1.19368 25.06813 1.745 1659 0 0 9031 4.16654 7.94648 19.77415 3.286 676 0 0 9032 4.52078 2.05414 17.23800 3.388 1286 0 0 9033 1.42491 0.74345 22.31856 3.652 1659 0 0 9034 8.25294 12.14766 20.98923 1.663 1460 0 0 9035 3.21396 6.54500 20.34770 4.171 1441 0 0 9036 7.71925 -2.29229 15.11258 1.786 652 0 0 9037 4.55308 9.73120 25.89777 1.401 1438 0 0 9038 11.30363 10.01720 25.74169 1.423 1430 0 0 9039 6.71561 9.25585 20.74959 2.744 1440 0 0 9040 2.89455 3.93646 19.91000 4.892 676 0 0 9041 5.93200 0.58100 15.99970 2.501 652 0 0 9042 5.64011 1.42553 16.67467 2.868 673 0 0 9043 10.81702 6.43771 26.98636 1.450 1422 0 0 9044 10.12709 -0.64060 17.29824 1.667 1280 0 0 9045 8.72629 -2.09977 15.60104 1.668 1282 0 0 9046 11.68487 -0.96241 18.26890 1.408 1619 0 0 9047 8.42802 3.75687 20.35582 1.400 673 0 0 9048 1.85528 1.54645 22.08347 3.815 1659 0 0 9049 3.75146 -1.26877 23.52006 1.645 1285 0 0 9050 4.21241 6.98239 20.78669 3.553 676 0 0 9051 5.65023 1.63317 17.71399 2.718 673 0 0 9052 7.60910 2.32036 15.07801 1.565 652 0 0 9053 3.81106 6.49669 22.06628 3.639 1441 0 0 9054 10.35603 8.66493 25.18861 1.967 1609 0 0 9055 7.79319 9.16456 21.33222 2.857 676 0 0 9056 8.79736 8.81850 19.92853 1.611 676 0 0 9057 4.96216 2.67062 19.46480 3.231 1286 0 0 9058 6.32911 8.63472 24.62900 1.977 1644 0 0 9059 12.65824 7.28074 27.66797 1.560 1427 0 0 9060 13.25500 7.48677 26.50226 1.864 1611 0 0 9061 7.52609 -1.50136 15.55400 1.598 652 0 0 9062 9.45673 -1.57978 16.29989 1.639 1282 0 0 9063 5.54778 7.94975 21.04799 2.921 676 0 0 9064 9.84753 8.08570 25.74297 1.928 1610 0 0 9065 4.45400 7.67182 23.87399 2.611 1441 0 0 9066 5.48237 3.30373 20.35449 3.101 1625 0 0 9067 8.14206 8.32790 24.07473 2.532 1609 0 0 9068 6.73733 3.49127 20.58388 2.380 1625 0 0 9069 7.88609 2.84559 20.02789 1.618 673 0 0 9070 6.70396 1.18467 17.80215 2.323 673 0 0 9071 6.76964 8.10490 22.47540 3.063 1625 0 0 9072 8.56290 8.97591 22.47873 2.412 1609 0 0 9073 6.07107 1.96538 19.18141 2.580 1285 0 0 9074 7.08047 4.85038 20.82103 2.095 1625 0 0 9075 8.03805 10.69600 21.46948 1.890 1439 0 0 9076 11.22259 10.79366 24.56603 1.400 1460 0 0 9077 6.13380 9.24260 25.18917 1.400 1438 0 0 9078 10.45574 7.05530 27.95451 1.415 1422 0 0 9079 11.72100 8.62900 25.66500 0.000 0 0 0 9080 5.56410 7.44308 22.21190 3.042 1625 0 0 9081 11.08100 7.73800 26.49600 0.000 0 0 0 9082 8.54002 7.33899 20.87730 1.563 1612 0 0 9083 11.10900 9.22600 24.54600 0.000 0 0 0 9084 10.96307 0.11132 18.30378 1.408 1619 0 0 9085 7.12167 1.68304 19.55033 2.319 673 0 0 9086 7.12649 5.87257 21.23099 2.080 676 0 0 9087 9.77200 7.38800 26.25400 0.000 0 0 0 9088 8.14000 0.07600 17.00300 0.000 0 0 0 9089 9.75500 8.88100 24.27200 0.000 0 0 0 9090 7.66288 -0.74410 16.10583 1.588 1282 0 0 9091 9.08800 9.45900 23.14100 0.000 0 0 0 9092 9.27100 0.44200 17.77400 0.000 0 0 0 9093 9.06800 7.93600 25.14900 0.000 0 0 0 9094 6.87800 0.20400 17.50500 0.000 0 0 0 9095 8.94736 -0.74918 16.48580 1.662 652 0 0 9096 7.75456 1.35711 16.16026 1.672 652 0 0 9097 10.62387 10.22927 24.43006 1.563 1430 0 0 9098 8.12311 6.16774 22.33522 1.408 1625 0 0 9099 2.99100 1.40900 21.16400 0.000 0 0 0 9100 7.74100 9.12400 22.84800 0.000 0 0 0 9101 7.73000 7.58700 24.88100 0.000 0 0 0 9102 4.50800 1.37700 23.15800 0.000 0 0 0 9103 9.06100 0.95200 19.08400 0.000 0 0 0 9104 6.67400 0.70000 18.78000 0.000 0 0 0 9105 7.01700 8.20600 23.67100 0.000 0 0 0 9106 5.41600 0.91400 19.49600 0.000 0 0 0 9107 5.59900 7.79700 23.38500 0.000 0 0 0 9108 4.23600 1.77900 21.80300 0.000 0 0 0 9109 7.31000 -0.06821 16.36599 1.854 652 0 0 9110 7.78500 1.09200 19.61200 0.000 0 0 0 9111 10.12585 9.08713 22.73209 1.580 1460 0 0 9112 5.61600 1.44000 20.78200 0.000 0 0 0 9113 4.02500 3.49800 21.91100 0.000 0 0 0 9114 7.28500 1.66700 21.12200 0.000 0 0 0 9115 5.54500 6.53800 22.62400 0.000 0 0 0 9116 6.04000 6.45500 21.24500 0.000 0 0 0 9117 5.21200 4.31800 22.00200 0.000 0 0 0 9118 5.42400 5.16500 20.74100 0.000 0 0 0 9119 9.22400 6.51300 27.11400 0.000 0 0 0 9120 5.06400 5.36500 23.09200 0.000 0 0 0