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 9.14168 9.65302 16.39981 2.917 190 0 0 9002 17.90457 1.90271 28.24822 1.779 788 0 0 9003 7.49202 10.25756 13.68665 1.710 321 0 0 9004 13.02926 8.53843 20.97189 3.602 726 0 0 9005 9.73038 9.22500 16.99621 3.085 1205 0 0 9006 12.02071 7.97872 19.68700 3.924 176 0 0 9007 8.78255 10.09808 19.15900 1.749 177 0 0 9008 5.78129 -3.72245 24.90731 1.450 686 0 0 9009 14.74003 6.15698 19.14212 1.494 726 0 0 9010 8.87773 2.00113 31.56849 2.983 703 0 0 9011 14.04078 6.72784 31.64546 6.358 157 0 0 9012 16.45024 0.72580 28.09721 2.429 788 0 0 9013 10.62605 8.54524 17.91755 3.670 1205 0 0 9014 11.31700 4.40568 16.91706 1.643 1197 0 0 9015 4.61292 1.73652 12.59127 1.400 475 0 0 9016 14.37957 -2.98843 29.25833 1.400 711 0 0 9017 5.73197 3.85261 12.03147 1.522 443 0 0 9018 13.72502 8.09531 26.97097 3.500 754 0 0 9019 13.47436 8.22433 24.33481 2.831 754 0 0 9020 7.50798 8.93330 13.71811 1.400 1204 0 0 9021 14.64831 0.16986 31.97045 4.554 707 0 0 9022 15.96608 -1.41039 27.63762 1.727 756 0 0 9023 10.87643 6.56900 17.54675 2.989 1121 0 0 9024 15.04904 -0.03909 30.87128 3.779 788 0 0 9025 15.33138 -1.99212 28.34780 1.782 710 0 0 9026 10.20123 2.73351 31.62919 3.411 703 0 0 9027 9.23873 8.10462 17.15913 2.711 1204 0 0 9028 12.14620 7.52401 20.99292 3.552 726 0 0 9029 10.65985 7.59666 19.68700 3.540 176 0 0 9030 4.57269 4.07230 14.59424 1.833 556 0 0 9031 13.43613 7.41734 27.76969 3.819 170 0 0 9032 7.95019 8.94300 14.64395 1.536 1204 0 0 9033 12.12380 4.14367 17.04437 1.481 1091 0 0 9034 12.80119 5.35049 18.89044 1.675 1091 0 0 9035 11.31480 5.04120 15.48918 1.565 1197 0 0 9036 11.12773 3.32479 31.60707 3.919 159 0 0 9037 5.70957 3.90653 12.88228 1.709 1198 0 0 9038 6.09928 2.65724 13.26548 1.559 554 0 0 9039 11.00257 7.21107 20.83539 3.253 176 0 0 9040 12.16231 4.79766 17.50749 1.597 1091 0 0 9041 4.19265 3.06835 13.59465 1.401 475 0 0 9042 16.11899 0.98156 26.83080 1.589 750 0 0 9043 13.03876 6.99712 25.25393 2.802 170 0 0 9044 15.33045 1.24423 30.01299 3.597 788 0 0 9045 14.85394 2.54180 27.51244 2.319 753 0 0 9046 12.51429 5.82494 21.76926 2.473 1121 0 0 9047 9.53881 3.22040 29.82843 2.705 159 0 0 9048 7.18124 2.78523 30.50867 1.481 694 0 0 9049 8.35608 7.82843 28.79399 1.644 157 0 0 9050 12.17244 6.85795 21.90345 3.229 726 0 0 9051 14.48362 1.95196 32.28342 5.272 703 0 0 9052 12.93309 6.95299 24.20600 2.756 170 0 0 9053 15.56309 1.61674 26.23679 1.421 709 0 0 9054 12.96656 6.66971 26.88195 3.285 753 0 0 9055 6.05096 4.52189 13.54345 1.704 443 0 0 9056 8.03885 0.67109 30.16211 1.592 703 0 0 9057 11.17533 3.99569 30.19169 3.712 703 0 0 9058 12.83408 6.43085 27.76540 3.760 170 0 0 9059 12.63133 6.35474 25.53397 2.809 753 0 0 9060 12.78220 5.58600 29.50106 4.821 753 0 0 9061 8.34539 7.67777 21.46208 1.861 169 0 0 9062 15.22952 2.23252 30.29391 4.122 788 0 0 9063 6.38867 3.48490 15.75900 1.624 1197 0 0 9064 4.77711 5.34840 18.52834 1.401 673 0 0 9065 6.22401 3.04320 14.05673 1.575 554 0 0 9066 8.95044 6.52925 18.11069 2.805 1120 0 0 9067 7.68747 8.05135 15.48877 1.413 1204 0 0 9068 8.73599 6.41866 29.31223 1.589 159 0 0 9069 6.12756 6.22083 14.45264 1.401 320 0 0 9070 9.37065 6.69922 20.62400 3.108 1121 0 0 9071 11.02206 6.52744 21.77701 2.918 170 0 0 9072 7.62389 3.36529 29.58232 1.435 694 0 0 9073 7.94391 6.32963 17.25041 2.499 1204 0 0 9074 10.21545 3.46595 28.55062 2.631 703 0 0 9075 8.83924 6.38597 19.64563 2.734 190 0 0 9076 8.73739 4.75276 29.31413 1.591 159 0 0 9077 6.88420 4.52215 14.83100 1.601 1204 0 0 9078 7.42762 7.38420 15.98002 1.598 321 0 0 9079 13.38795 4.62482 23.17723 1.507 716 0 0 9080 8.68086 1.91855 29.35682 1.567 694 0 0 9081 14.23600 2.84500 30.78500 0.000 0 0 0 9082 11.50756 5.59866 25.50419 2.600 716 0 0 9083 8.22128 3.33959 28.61087 1.478 174 0 0 9084 13.26300 2.27700 30.28100 0.000 0 0 0 9085 6.39022 5.93210 15.53856 1.776 319 0 0 9086 10.91017 4.55549 26.58500 2.408 716 0 0 9087 9.41042 5.33415 22.08464 2.507 1121 0 0 9088 7.74387 3.46216 22.08603 2.191 1120 0 0 9089 10.20363 5.62179 22.55660 2.704 171 0 0 9090 12.49300 2.71100 29.15200 0.000 0 0 0 9091 5.89000 4.35600 17.11400 0.000 0 0 0 9092 10.97548 5.54315 24.08400 2.450 170 0 0 9093 12.81900 3.99100 28.42600 0.000 0 0 0 9094 5.51700 3.33800 17.95500 0.000 0 0 0 9095 7.42698 4.89484 20.85100 2.254 1120 0 0 9096 8.59988 5.38211 21.32471 2.585 1120 0 0 9097 8.74414 2.09781 28.53095 1.464 694 0 0 9098 6.72400 5.40000 17.54700 0.000 0 0 0 9099 11.75100 4.52200 27.46800 0.000 0 0 0 9100 5.98800 3.38300 19.27200 0.000 0 0 0 9101 10.66900 2.26400 27.42100 0.000 0 0 0 9102 7.19700 5.44500 18.85000 0.000 0 0 0 9103 6.82400 4.42400 19.74000 0.000 0 0 0 9104 11.03000 3.48900 26.65000 0.000 0 0 0 9105 6.43400 2.99400 21.42700 0.000 0 0 0 9106 7.09500 4.16500 21.13100 0.000 0 0 0 9107 10.26400 3.86800 25.51300 0.000 0 0 0 9108 10.08807 6.29721 26.17811 1.590 174 0 0 9109 10.46100 5.10000 24.89800 0.000 0 0 0 9110 9.57968 2.32387 22.52465 1.475 1121 0 0 9111 7.94200 5.05300 22.03600 0.000 0 0 0 9112 9.71000 5.47000 23.78100 0.000 0 0 0 9113 9.26096 2.80392 26.55932 1.885 174 0 0 9114 8.75000 4.61600 23.25400 0.000 0 0 0 9115 9.13477 3.10154 22.64943 1.890 698 0 0 9116 11.76400 1.71300 28.30600 0.000 0 0 0 9117 5.76300 2.53100 20.32200 0.000 0 0 0 9118 6.37300 2.38200 22.49400 0.000 0 0 0 9119 9.29800 3.01700 24.98200 0.000 0 0 0 9120 8.54800 3.38600 23.86300 0.000 0 0 0