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 -0.35252 9.53620 17.98928 1.751 1143 0 0 9002 4.61479 0.12006 17.92088 1.741 1337 0 0 9003 9.78792 -1.96526 16.21972 2.100 261 0 0 9004 0.47952 13.23790 12.78341 1.926 551 0 0 9005 0.54194 12.46243 15.89214 1.992 1156 0 0 9006 10.64706 -1.91481 16.47455 1.839 261 0 0 9007 9.35993 -1.19400 16.30359 2.014 261 0 0 9008 4.48665 0.68402 13.41286 1.401 265 0 0 9009 0.52167 15.39900 13.67377 1.738 1159 0 0 9010 1.46633 14.29708 14.58028 2.361 580 0 0 9011 4.47287 0.74625 16.50430 1.400 1337 0 0 9012 6.99511 -0.94100 17.44702 1.843 1313 0 0 9013 1.36592 15.53127 15.30804 1.414 573 0 0 9014 9.15261 -0.34165 17.09272 1.424 1313 0 0 9015 12.81253 -2.36871 16.37447 1.899 261 0 0 9016 9.08852 -0.56553 15.15283 1.413 261 0 0 9017 15.27377 -1.85308 10.69880 1.632 260 0 0 9018 2.20499 13.26338 14.20859 1.764 580 0 0 9019 15.50612 -2.34114 14.89974 2.659 261 0 0 9020 6.62876 -0.00973 18.09399 1.529 1313 0 0 9021 0.30743 10.97368 16.85309 1.799 1315 0 0 9022 13.61207 -2.35478 15.91903 1.901 261 0 0 9023 1.42727 13.21524 16.14111 2.111 1315 0 0 9024 1.91330 8.81149 18.60640 1.429 1165 0 0 9025 11.38700 -0.94929 16.95747 1.495 863 0 0 9026 3.00400 16.07191 14.77237 1.401 608 0 0 9027 1.64515 13.28819 17.04042 1.790 1143 0 0 9028 12.85740 -1.46200 16.65701 1.537 261 0 0 9029 2.03756 13.77900 15.96545 2.320 1159 0 0 9030 7.98322 -0.44000 14.04995 1.489 1313 0 0 9031 2.86583 12.66131 12.74274 1.431 581 0 0 9032 15.72725 -1.68874 12.34873 1.826 260 0 0 9033 14.96931 -1.41474 15.57314 1.959 856 0 0 9034 2.28180 15.30025 14.02543 1.577 580 0 0 9035 10.50460 0.39100 17.00070 1.543 1219 0 0 9036 11.99800 -1.95553 16.84196 1.864 859 0 0 9037 2.98823 13.26873 15.52536 1.569 1315 0 0 9038 1.01242 12.62414 17.19394 1.436 1143 0 0 9039 13.90900 -1.12342 16.19351 1.465 261 0 0 9040 16.24228 -0.51308 14.60670 2.514 261 0 0 9041 3.80220 15.60965 16.15205 1.489 580 0 0 9042 9.18052 17.54470 19.88282 1.400 640 0 0 9043 16.29211 3.81100 12.82922 1.400 435 0 0 9044 9.45172 14.52519 23.14976 1.431 1095 0 0 9045 15.94595 0.54329 14.51891 2.121 261 0 0 9046 17.31350 -0.16239 15.39915 1.846 824 0 0 9047 3.55112 14.12929 17.52832 2.535 1300 0 0 9048 4.06019 13.62455 19.16000 1.538 1141 0 0 9049 8.63103 16.66744 19.05866 1.400 614 0 0 9050 4.99843 15.74942 16.56730 1.437 608 0 0 9051 3.01037 12.95309 18.34272 1.573 1301 0 0 9052 4.50921 13.92455 17.42563 2.118 1300 0 0 9053 14.54860 3.74574 13.24526 1.983 438 0 0 9054 4.80325 15.43921 19.50805 2.334 1136 0 0 9055 7.61228 16.37634 17.43546 1.401 607 0 0 9056 4.00900 16.71688 19.65364 1.613 1129 0 0 9057 9.00964 13.36842 21.74213 1.549 1148 0 0 9058 10.17308 15.36424 19.57503 1.455 684 0 0 9059 9.34011 15.76470 20.09781 2.036 640 0 0 9060 3.54440 15.36735 17.98057 1.845 608 0 0 9061 7.92923 15.83236 18.69400 1.770 614 0 0 9062 16.57705 1.21413 15.09482 1.492 829 0 0 9063 4.78063 15.90820 21.33241 1.525 1130 0 0 9064 4.84459 16.70542 20.25259 1.587 607 0 0 9065 11.14889 8.48445 12.65231 1.474 453 0 0 9066 8.64523 12.74614 20.77574 1.602 1299 0 0 9067 10.96990 7.27820 12.83736 1.666 441 0 0 9068 12.21314 3.52018 14.92751 1.401 1219 0 0 9069 13.74761 5.06605 12.66875 1.411 438 0 0 9070 6.46490 15.32390 17.54808 2.213 607 0 0 9071 15.32889 6.13605 16.81761 1.529 831 0 0 9072 4.96797 13.30652 17.18091 1.635 582 0 0 9073 11.96011 8.33423 13.38129 1.948 441 0 0 9074 16.00363 1.92100 14.74609 1.731 822 0 0 9075 9.34598 13.68547 19.29267 2.135 1299 0 0 9076 12.95101 5.67812 12.88078 1.602 310 0 0 9077 9.06371 13.50986 17.92963 1.862 615 0 0 9078 12.68768 5.53320 14.50998 1.910 310 0 0 9079 6.70100 15.41000 19.93300 0.000 0 0 0 9080 14.84900 2.83200 15.51800 0.000 0 0 0 9081 7.83700 14.81200 20.50800 0.000 0 0 0 9082 9.19983 5.84330 15.11464 1.400 1309 0 0 9083 6.39800 15.17800 18.57900 0.000 0 0 0 9084 11.11616 6.82132 14.99274 2.270 1293 0 0 9085 13.71200 3.58600 15.21500 0.000 0 0 0 9086 12.39953 6.49001 13.21579 1.788 438 0 0 9087 8.66200 13.97400 19.73300 0.000 0 0 0 9088 14.84600 5.53400 16.02800 0.000 0 0 0 9089 7.22500 14.34100 17.80100 0.000 0 0 0 9090 16.43616 3.41534 15.24896 1.478 829 0 0 9091 13.68100 4.95800 15.50200 0.000 0 0 0 9092 8.36500 13.72200 18.37300 0.000 0 0 0 9093 10.57248 12.29440 19.74438 1.400 684 0 0 9094 9.71288 12.85355 19.61153 1.886 684 0 0 9095 11.28978 12.10411 16.61462 1.401 691 0 0 9096 10.63500 12.19400 13.00400 0.000 0 0 0 9097 12.55700 5.77100 15.28300 0.000 0 0 0 9098 9.27000 12.81900 17.57200 0.000 0 0 0 9099 7.67112 14.77089 16.98126 1.803 614 0 0 9100 11.24400 5.29300 15.19000 0.000 0 0 0 9101 11.31000 10.97500 13.16700 0.000 0 0 0 9102 14.35049 5.12039 16.84091 1.441 1294 0 0 9103 12.76500 7.09300 15.14800 0.000 0 0 0 9104 10.22700 6.24600 15.09700 0.000 0 0 0 9105 11.25300 10.31300 14.41500 0.000 0 0 0 9106 11.77200 7.94000 14.91100 0.000 0 0 0 9107 10.50400 7.53800 14.88200 0.000 0 0 0 9108 10.10143 5.89943 16.33604 1.637 1311 0 0 9109 15.96800 3.46500 16.06300 0.000 0 0 0 9110 11.72961 9.83817 12.53487 1.783 453 0 0 9111 15.94500 4.79400 16.28300 0.000 0 0 0 9112 12.51889 8.49388 15.12826 1.661 1293 0 0 9113 9.14647 11.85950 16.39203 1.692 582 0 0 9114 12.08500 10.37400 11.98600 0.000 0 0 0 9115 9.87000 12.72900 14.04900 0.000 0 0 0 9116 10.21700 12.26400 18.13600 0.000 0 0 0 9117 9.00300 12.66000 16.26800 0.000 0 0 0 9118 9.79300 12.07200 15.29000 0.000 0 0 0 9119 12.10900 9.25600 14.67300 0.000 0 0 0 9120 10.48500 10.85500 15.46800 0.000 0 0 0