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 29.98815 11.97573 16.74704 2.305 697 0 0 9002 28.09500 12.06494 15.89359 2.215 4026 0 0 9003 15.44224 17.41400 22.02350 1.728 482 0 0 9004 29.33251 14.18744 22.58800 1.564 676 0 0 9005 30.71858 14.43713 25.06876 1.546 640 0 0 9006 30.03197 12.11200 17.69163 1.935 709 0 0 9007 19.91765 26.73422 24.02994 1.541 2613 0 0 9008 29.93107 14.08451 20.68413 1.563 709 0 0 9009 15.24945 22.74156 22.37058 2.700 1289 0 0 9010 15.99955 14.71844 11.46632 1.561 3921 0 0 9011 28.38140 14.22783 22.28802 1.982 477 0 0 9012 13.22950 24.44247 21.70853 1.601 3956 0 0 9013 16.43595 14.41080 19.47847 1.805 3951 0 0 9014 27.22561 12.54015 16.19449 1.779 709 0 0 9015 28.79422 14.31460 13.14261 1.688 4026 0 0 9016 17.48027 27.49442 22.23625 1.687 1287 0 0 9017 15.41113 18.77691 21.25700 1.574 3949 0 0 9018 29.84658 13.12142 16.17926 1.778 700 0 0 9019 27.85494 13.20110 15.69813 1.624 4026 0 0 9020 15.37863 13.19454 16.66533 1.706 3951 0 0 9021 14.80616 20.07351 20.55098 1.641 3954 0 0 9022 29.97522 13.08033 19.62129 1.408 709 0 0 9023 28.56821 14.06151 14.78912 1.655 706 0 0 9024 15.48790 20.26239 20.92767 2.124 448 0 0 9025 16.59944 22.99574 21.75090 1.659 2613 0 0 9026 28.34412 13.13814 21.05286 1.741 438 0 0 9027 15.83193 21.16407 21.16084 2.200 3954 0 0 9028 16.07406 15.13149 21.14653 1.645 446 0 0 9029 16.14025 13.55797 17.60215 1.710 422 0 0 9030 25.58229 14.20005 17.36716 1.713 707 0 0 9031 15.87698 19.12395 19.22894 1.403 3964 0 0 9032 23.54564 15.76731 18.26108 1.724 2627 0 0 9033 17.15497 13.81841 17.56170 1.431 3939 0 0 9034 16.10930 20.11267 19.75425 1.561 448 0 0 9035 24.51818 14.29609 17.53714 1.745 4027 0 0 9036 31.01723 23.25389 20.87168 1.400 649 0 0 9037 31.55460 21.77900 20.18400 1.400 4075 0 0 9038 28.87200 15.05671 21.25177 1.535 676 0 0 9039 16.93879 21.89483 22.19957 1.513 484 0 0 9040 25.36578 15.28363 17.25775 1.427 4027 0 0 9041 25.51289 17.42164 17.58128 1.403 2627 0 0 9042 29.01482 24.43412 15.57830 1.411 4067 0 0 9043 26.22285 26.53790 15.48451 1.400 2605 0 0 9044 30.52716 23.22701 19.93341 1.401 2577 0 0 9045 17.08905 20.61954 19.37734 1.417 3964 0 0 9046 28.06863 15.58783 21.72326 1.400 477 0 0 9047 24.62597 15.54972 19.09255 1.607 2627 0 0 9048 30.53518 22.07000 20.85539 1.554 2664 0 0 9049 29.19499 23.36856 16.57350 1.401 4076 0 0 9050 24.54583 23.69607 10.33894 1.431 2918 0 0 9051 23.48297 15.79077 19.65614 1.498 2627 0 0 9052 23.63302 22.69773 11.90049 1.520 4013 0 0 9053 30.64560 20.46800 19.94080 1.400 677 0 0 9054 27.18160 24.80800 11.89310 1.480 2894 0 0 9055 25.91189 18.73700 16.95079 1.661 4044 0 0 9056 29.28936 22.14910 17.92564 1.400 4076 0 0 9057 29.10520 20.04852 21.24326 1.401 675 0 0 9058 27.19269 24.28332 11.07600 1.443 2894 0 0 9059 25.15838 18.51314 17.32157 1.403 4017 0 0 9060 25.45448 16.56133 16.83607 1.400 4027 0 0 9061 27.72297 23.49035 14.06349 1.468 4067 0 0 9062 27.94389 23.14221 15.75736 1.885 4041 0 0 9063 25.22317 24.16988 10.29215 1.429 2918 0 0 9064 25.63294 17.17870 16.26989 1.436 706 0 0 9065 28.57788 19.42656 21.19777 1.448 2625 0 0 9066 26.25065 24.76700 16.13700 1.464 2605 0 0 9067 25.74308 19.81487 16.47606 1.424 4044 0 0 9068 28.36390 26.34237 14.72672 1.438 2578 0 0 9069 27.42884 23.81746 15.19939 2.197 2577 0 0 9070 26.24468 23.59420 13.57794 2.199 4041 0 0 9071 29.65488 23.23041 15.42594 1.400 4067 0 0 9072 17.35317 21.72221 20.31723 1.880 2609 0 0 9073 27.95384 21.28271 20.52118 1.467 2664 0 0 9074 24.42986 22.16765 14.73100 1.769 2605 0 0 9075 26.01620 23.38579 16.18266 1.811 2577 0 0 9076 25.33622 23.10632 16.94160 1.754 2577 0 0 9077 27.58211 21.32059 19.79399 1.610 2577 0 0 9078 26.88548 24.57667 15.35600 2.010 2577 0 0 9079 24.73848 22.80490 13.10972 1.999 2605 0 0 9080 23.51029 22.23838 14.93518 1.428 4018 0 0 9081 25.99900 24.66300 10.83600 0.000 0 0 0 9082 20.49493 20.56016 17.36135 1.802 4018 0 0 9083 26.45864 21.46934 19.16800 1.627 2625 0 0 9084 26.32459 21.18141 17.55129 2.276 2577 0 0 9085 25.90400 23.91500 12.52100 0.000 0 0 0 9086 26.27000 24.67600 13.62800 0.000 0 0 0 9087 28.70900 21.81600 19.97300 0.000 0 0 0 9088 29.41200 20.18200 18.62200 0.000 0 0 0 9089 27.10305 25.63909 12.64600 1.574 2894 0 0 9090 25.58900 22.56000 12.67100 0.000 0 0 0 9091 24.74343 24.03295 17.92246 1.400 2600 0 0 9092 23.28715 21.23305 17.35136 1.742 4017 0 0 9093 26.35800 24.07200 14.89600 0.000 0 0 0 9094 28.35300 20.73700 19.23200 0.000 0 0 0 9095 18.85900 21.64500 17.80800 0.000 0 0 0 9096 24.68470 22.38931 11.31001 1.636 4013 0 0 9097 25.67300 21.94200 13.94100 0.000 0 0 0 9098 19.14800 19.15600 17.02100 0.000 0 0 0 9099 19.48200 20.86200 16.77800 0.000 0 0 0 9100 17.84078 21.65697 19.25221 1.774 1289 0 0 9101 27.55700 21.73400 16.85800 0.000 0 0 0 9102 26.07000 22.69200 15.05000 0.000 0 0 0 9103 27.33400 21.14900 18.21200 0.000 0 0 0 9104 26.84118 25.74090 13.50385 1.949 2896 0 0 9105 26.32200 22.02900 16.36600 0.000 0 0 0 9106 21.28600 21.09600 16.90700 0.000 0 0 0 9107 26.64844 19.34000 17.43885 1.598 708 0 0 9108 23.28400 22.29600 16.26100 0.000 0 0 0 9109 25.37400 21.65700 17.29200 0.000 0 0 0 9110 22.04600 20.26400 17.76100 0.000 0 0 0 9111 24.02800 21.46800 17.11300 0.000 0 0 0 9112 23.41600 20.45500 17.86200 0.000 0 0 0 9113 18.54937 21.01287 18.90742 1.544 449 0 0 9114 19.04479 22.67606 17.11809 1.426 1290 0 0 9115 18.89615 20.78000 17.90686 1.620 449 0 0 9116 24.19272 19.82247 17.69299 1.432 4017 0 0 9117 19.04400 21.31600 15.49600 0.000 0 0 0 9118 27.78700 19.83000 20.03600 0.000 0 0 0 9119 21.90300 22.11200 16.15800 0.000 0 0 0 9120 26.04700 21.10100 18.42400 0.000 0 0 0