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 -0.43288 64.28100 -9.15311 3.930 577 0 0 9002 -5.86753 64.86333 -10.74277 3.411 1319 0 0 9003 -7.95046 64.44700 -9.07148 1.798 2093 0 0 9004 2.06887 61.68369 -11.23765 2.026 562 0 0 9005 1.46344 62.41945 -9.19652 2.362 577 0 0 9006 -8.24538 64.16644 -9.93246 1.702 2093 0 0 9007 -1.45218 64.52200 -3.99562 3.540 2326 0 0 9008 -3.45057 62.93969 -13.73786 3.657 1319 0 0 9009 1.42362 61.26201 -13.60708 2.460 566 0 0 9010 0.33764 61.96132 -13.11088 2.725 577 0 0 9011 -3.06968 63.97531 -11.01231 4.502 1319 0 0 9012 0.58887 63.00438 -8.48976 2.915 577 0 0 9013 -5.76311 61.49584 -0.05026 1.535 2325 0 0 9014 -5.37287 61.08831 -14.76930 1.848 1319 0 0 9015 1.47433 62.44498 -4.16188 1.504 558 0 0 9016 2.59547 61.44172 -4.36569 1.416 2593 0 0 9017 -7.74141 60.84489 -16.33541 1.799 1139 0 0 9018 -2.86326 63.04044 -12.43740 4.051 1319 0 0 9019 -5.92259 62.70420 -1.22165 1.789 1961 0 0 9020 2.63253 59.22561 -15.99729 1.884 581 0 0 9021 -4.58533 61.43042 -14.22683 2.270 1148 0 0 9022 -5.98811 60.38044 -14.93743 1.460 1319 0 0 9023 -4.33769 63.98996 -4.63790 3.237 2098 0 0 9024 -0.76556 62.37426 -2.61635 1.575 2594 0 0 9025 -2.37735 64.28100 -6.46554 4.610 2326 0 0 9026 -6.51906 62.61201 -1.82185 1.401 1961 0 0 9027 -8.65812 64.22609 -8.57438 1.400 1703 0 0 9028 -1.55715 63.97116 -5.36673 3.756 559 0 0 9029 -1.06179 63.48964 -7.78791 3.774 577 0 0 9030 5.32216 57.79564 -7.25730 1.548 552 0 0 9031 -3.53234 63.25559 -9.78605 4.166 577 0 0 9032 1.91696 61.82892 -9.70335 1.913 553 0 0 9033 3.54332 57.81000 -6.85658 1.633 315 0 0 9034 0.56701 62.30298 -4.88955 2.256 559 0 0 9035 -7.60785 59.93600 -16.05322 1.544 1139 0 0 9036 0.15161 62.37663 -7.42419 2.899 577 0 0 9037 3.19897 61.57745 -6.53660 1.401 559 0 0 9038 -0.63956 62.90963 -4.93993 3.071 559 0 0 9039 2.09508 60.85830 -5.86183 2.301 559 0 0 9040 0.59145 61.72396 -7.00197 2.769 559 0 0 9041 -5.75641 62.37328 -4.92200 1.848 1687 0 0 9042 3.24911 56.92123 -6.94719 1.494 315 0 0 9043 -4.03516 60.94294 -13.37828 2.409 1148 0 0 9044 2.32098 59.02087 -14.72572 1.474 586 0 0 9045 -5.07008 59.90495 -13.68276 1.570 1319 0 0 9046 3.58921 59.51142 -6.26839 1.881 552 0 0 9047 0.93746 61.24279 -5.99451 2.621 559 0 0 9048 -3.32050 61.61965 -12.41800 3.128 587 0 0 9049 -1.25020 62.68085 -6.34055 3.728 2326 0 0 9050 -6.32244 61.58738 -7.42231 1.407 1703 0 0 9051 -7.22983 59.29372 -15.50424 1.525 1148 0 0 9052 2.16617 60.74037 -8.25163 1.488 575 0 0 9053 2.27813 59.34813 -13.78015 1.428 566 0 0 9054 -7.47585 57.90700 -15.65594 1.418 1308 0 0 9055 -3.17308 62.09023 -8.13698 3.505 1687 0 0 9056 -6.68612 57.23601 -14.10262 1.527 1165 0 0 9057 2.90274 59.64419 -6.70436 1.866 553 0 0 9058 4.14215 55.82140 -7.02556 1.401 623 0 0 9059 -3.72440 61.67144 -10.17870 3.262 577 0 0 9060 -6.05257 56.97225 -13.52565 1.632 1148 0 0 9061 -3.98715 61.30695 -9.50349 3.322 1319 0 0 9062 -3.53614 61.00589 -11.34264 2.925 577 0 0 9063 -5.79192 57.90700 -13.17595 1.673 1319 0 0 9064 -1.45388 61.46238 -6.50802 3.279 577 0 0 9065 -7.02389 57.50028 -13.41542 1.400 1165 0 0 9066 -5.64994 54.30645 -9.39441 1.712 1163 0 0 9067 -5.12768 57.90700 -12.52006 2.075 1319 0 0 9068 -4.54665 52.05938 -9.98883 1.425 1161 0 0 9069 -2.60996 61.06968 -7.24380 3.073 1687 0 0 9070 -3.41863 60.45692 -8.43918 2.777 1687 0 0 9071 -4.27529 53.59000 -9.70040 1.986 1573 0 0 9072 -2.28212 53.39502 -7.66752 1.595 1573 0 0 9073 -2.75367 53.44027 -8.38244 1.581 1573 0 0 9074 1.35420 59.35902 -6.51281 1.400 576 0 0 9075 -3.74039 59.85387 -11.38974 2.714 587 0 0 9076 -5.98890 57.30558 -11.87475 1.980 1319 0 0 9077 -4.03150 56.81348 -11.78256 2.391 587 0 0 9078 -4.89677 55.39123 -9.54597 2.185 1573 0 0 9079 -3.40666 53.64952 -10.30077 2.199 1163 0 0 9080 -2.84544 59.71397 -7.54244 2.617 1687 0 0 9081 -4.18679 59.80264 -9.54670 3.015 1687 0 0 9082 -5.39490 59.23200 -9.44821 2.379 1319 0 0 9083 -7.30267 57.31216 -11.75465 1.400 1165 0 0 9084 -1.65305 59.22421 -6.49113 2.558 318 0 0 9085 -3.41400 59.23200 -8.39069 2.568 577 0 0 9086 -4.47139 57.70660 -11.36398 2.830 587 0 0 9087 0.30896 59.07986 -6.53207 1.401 576 0 0 9088 -4.09332 59.26585 -10.36316 2.837 577 0 0 9089 -3.21244 52.65960 -10.77391 1.605 1161 0 0 9090 -5.33399 57.34606 -10.39362 2.765 1163 0 0 9091 -0.47768 53.79831 -11.89219 1.426 796 0 0 9092 -3.86875 58.00300 -9.04927 2.912 577 0 0 9093 -0.45814 54.26052 -11.05221 1.829 574 0 0 9094 -7.43900 57.47300 -10.79100 0.000 0 0 0 9095 -2.46800 53.88300 -12.31600 0.000 0 0 0 9096 -2.93154 56.06330 -12.81375 1.419 1147 0 0 9097 0.35451 52.78804 -9.13196 1.428 326 0 0 9098 0.04300 54.03000 -9.32000 0.000 0 0 0 9099 -6.83600 58.48300 -9.98300 0.000 0 0 0 9100 -6.40100 56.69800 -8.41100 0.000 0 0 0 9101 -2.25000 58.24200 -5.59100 0.000 0 0 0 9102 -0.18900 55.18100 -8.69500 0.000 0 0 0 9103 -5.82700 57.85700 -9.02200 0.000 0 0 0 9104 -2.11400 55.12300 -11.52000 0.000 0 0 0 9105 -1.34891 52.60007 -10.24603 1.418 1192 0 0 9106 -1.46800 56.38500 -6.96700 0.000 0 0 0 9107 -2.33000 57.40100 -6.79800 0.000 0 0 0 9108 -2.65400 55.17800 -10.29900 0.000 0 0 0 9109 -1.50200 55.54100 -8.20500 0.000 0 0 0 9110 -4.64600 57.31200 -9.63800 0.000 0 0 0 9111 -3.27100 57.70900 -7.67000 0.000 0 0 0 9112 -6.05100 55.77280 -8.58535 1.569 1562 0 0 9113 -3.81800 57.89200 -10.08200 0.000 0 0 0 9114 -3.59400 56.76400 -8.68600 0.000 0 0 0 9115 -0.37314 56.25556 -7.17212 1.401 328 0 0 9116 -2.29000 56.16900 -9.29700 0.000 0 0 0 9117 -1.06550 55.99281 -6.34619 1.469 328 0 0 9118 1.21600 53.86700 -9.92600 0.000 0 0 0 9119 -0.89600 53.08100 -9.40200 0.000 0 0 0 9120 -1.37200 58.04100 -4.81300 0.000 0 0 0