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 -29.04317 52.22725 40.73579 3.406 731 0 0 9002 -37.31516 69.08995 49.97500 2.108 257 0 0 9003 -38.41933 67.91400 50.80987 2.268 1556 0 0 9004 -36.77182 69.07820 49.17861 1.806 1555 0 0 9005 -28.58080 53.03123 42.33600 2.932 731 0 0 9006 -39.53033 66.65933 51.30309 2.846 257 0 0 9007 -38.57075 66.75876 50.38346 2.011 257 0 0 9008 -20.44603 52.17853 41.14806 2.806 729 0 0 9009 -22.08179 52.37873 42.25788 2.646 1111 0 0 9010 -39.25219 66.10770 50.64863 2.403 257 0 0 9011 -19.57179 52.47124 43.45285 1.452 696 0 0 9012 -37.80752 66.37352 49.47766 1.593 1556 0 0 9013 -20.00496 54.30930 42.23154 1.496 1706 0 0 9014 -28.19212 53.22052 43.45992 3.142 731 0 0 9015 -22.08517 53.26083 42.52283 1.962 729 0 0 9016 -39.71680 64.88600 50.61136 2.667 254 0 0 9017 -20.92697 53.03647 41.87191 2.294 1111 0 0 9018 -21.61629 54.17014 42.49628 1.480 729 0 0 9019 -22.95378 53.09558 43.00886 2.164 731 0 0 9020 -27.95952 54.92588 42.24269 1.994 23 0 0 9021 -38.81504 64.30230 49.73799 2.093 254 0 0 9022 -24.29496 52.60775 44.24333 2.856 1111 0 0 9023 -38.44853 65.74400 49.69283 1.868 1557 0 0 9024 -39.71556 63.50538 50.57833 2.898 254 0 0 9025 -23.76732 53.49302 43.76419 2.197 731 0 0 9026 -27.85589 54.90037 44.28400 2.539 24 0 0 9027 -27.05603 55.79022 42.71802 1.710 731 0 0 9028 -39.28344 62.76944 50.19029 2.913 1557 0 0 9029 -27.95020 54.97003 45.58130 2.759 311 0 0 9030 -38.02353 64.50143 49.02361 1.825 1557 0 0 9031 -38.07303 62.84267 49.06210 2.418 1557 0 0 9032 -38.96877 61.85387 46.43482 1.745 253 0 0 9033 -25.59809 54.84673 43.40421 1.405 311 0 0 9034 -39.94950 61.05917 50.66306 4.294 254 0 0 9035 -23.87165 54.37740 43.47794 1.719 731 0 0 9036 -38.91677 61.25199 48.70905 3.049 254 0 0 9037 -28.08774 56.81400 44.28207 1.804 311 0 0 9038 -38.87804 61.52609 49.71539 3.416 289 0 0 9039 -27.83612 56.40775 46.01862 2.098 297 0 0 9040 -28.38205 57.67259 44.54773 1.696 24 0 0 9041 -30.34874 55.94551 46.69306 1.706 24 0 0 9042 -31.79548 56.05607 46.79240 1.605 295 0 0 9043 -29.06137 57.54623 45.43695 1.406 297 0 0 9044 -22.28049 54.41051 51.96054 3.775 1354 0 0 9045 -37.06770 62.15088 48.08267 1.692 289 0 0 9046 -27.09947 55.98310 47.32489 2.287 310 0 0 9047 -37.63784 61.15631 50.44969 2.663 1571 0 0 9048 -29.04567 56.81400 45.81590 1.559 297 0 0 9049 -27.22817 57.37051 46.95916 1.401 297 0 0 9050 -23.51715 54.40785 51.30478 3.856 1354 0 0 9051 -23.99900 54.94522 50.90654 3.599 1112 0 0 9052 -26.63960 56.41683 48.25800 2.189 310 0 0 9053 -26.86453 57.53949 47.69181 1.400 310 0 0 9054 -30.78303 58.13504 57.04000 3.188 1573 0 0 9055 -22.56515 55.75746 51.30768 2.940 1354 0 0 9056 -31.31174 59.62658 55.11300 1.502 1544 0 0 9057 -25.25804 56.20842 50.21168 3.373 310 0 0 9058 -36.37184 59.95207 51.00149 2.133 289 0 0 9059 -21.51912 56.91300 51.13997 2.113 1119 0 0 9060 -26.17434 55.35342 50.74649 3.834 1354 0 0 9061 -26.39214 57.51068 48.67098 1.826 310 0 0 9062 -20.11886 56.76461 51.03804 1.657 1110 0 0 9063 -22.38772 57.99245 51.52600 1.587 1354 0 0 9064 -22.92818 56.66203 50.82752 2.586 1112 0 0 9065 -35.59150 59.38896 51.12531 1.934 289 0 0 9066 -20.37345 57.67242 50.67965 1.401 1121 0 0 9067 -24.83865 57.40295 50.13099 2.765 310 0 0 9068 -21.87851 57.78363 50.37548 1.748 1121 0 0 9069 -22.87337 60.59170 49.34227 1.405 1690 0 0 9070 -34.77348 59.08453 51.28701 1.750 1572 0 0 9071 -31.26502 59.74853 52.54058 1.582 1572 0 0 9072 -25.98822 57.25578 50.80760 2.611 298 0 0 9073 -22.36532 59.95301 48.99781 1.424 1690 0 0 9074 -24.70468 60.73300 50.35133 2.241 1681 0 0 9075 -23.65526 58.84900 49.83620 2.304 1121 0 0 9076 -23.48842 57.98630 50.21163 2.458 1354 0 0 9077 -33.19488 58.88031 51.55434 1.725 1572 0 0 9078 -27.50458 56.39240 52.15796 3.116 298 0 0 9079 -30.35098 59.86328 52.70222 1.402 296 0 0 9080 -37.36700 55.40900 54.17200 0.000 0 0 0 9081 -37.12700 57.25000 55.16600 0.000 0 0 0 9082 -29.56427 59.59675 52.82430 1.576 1544 0 0 9083 -35.74800 55.64700 55.47700 0.000 0 0 0 9084 -36.48400 56.30700 54.66000 0.000 0 0 0 9085 -27.95136 59.24500 53.43061 2.155 1544 0 0 9086 -25.68731 59.10141 50.81584 2.007 1354 0 0 9087 -21.66400 59.65000 48.67200 0.000 0 0 0 9088 -36.36600 57.15300 52.24700 0.000 0 0 0 9089 -27.58158 58.75215 52.59312 2.114 298 0 0 9090 -35.71700 56.84100 53.47100 0.000 0 0 0 9091 -27.44543 60.12961 53.52065 1.750 1544 0 0 9092 -28.48681 56.77635 53.16293 3.355 298 0 0 9093 -28.63307 60.16431 52.64571 1.414 296 0 0 9094 -22.57900 59.14600 49.34400 0.000 0 0 0 9095 -22.61500 57.95400 49.55400 0.000 0 0 0 9096 -20.87515 59.95147 48.27932 1.400 1690 0 0 9097 -35.57500 57.64800 51.18300 0.000 0 0 0 9098 -34.35200 57.01300 53.62400 0.000 0 0 0 9099 -27.60109 57.67980 52.44229 2.460 298 0 0 9100 -23.65000 60.02300 49.89600 0.000 0 0 0 9101 -34.18800 57.82400 51.32900 0.000 0 0 0 9102 -24.65900 59.37400 50.64800 0.000 0 0 0 9103 -33.52900 57.50300 52.58000 0.000 0 0 0 9104 -31.51900 56.49500 53.51300 0.000 0 0 0 9105 -25.72600 60.11600 51.21500 0.000 0 0 0 9106 -30.14000 56.83500 53.96900 0.000 0 0 0 9107 -32.13100 57.65600 52.80400 0.000 0 0 0 9108 -27.06035 61.54731 51.50555 1.401 296 0 0 9109 -27.55100 60.19800 52.68600 0.000 0 0 0 9110 -26.79800 59.48200 52.03000 0.000 0 0 0 9111 -27.89000 57.57600 53.19100 0.000 0 0 0 9112 -26.94600 57.96300 52.06000 0.000 0 0 0 9113 -29.29000 57.18900 52.79100 0.000 0 0 0 9114 -31.33900 57.97800 51.58700 0.000 0 0 0 9115 -22.73900 62.15500 48.99000 0.000 0 0 0 9116 -29.94400 58.31900 51.99700 0.000 0 0 0 9117 -24.77900 63.55100 50.04600 0.000 0 0 0 9118 -23.65200 61.44900 49.67400 0.000 0 0 0 9119 -24.70500 62.21700 50.21600 0.000 0 0 0 9120 -25.78000 61.51000 51.01800 0.000 0 0 0