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 83 9001 13.23400 18.07200 3.12700 0.000 0 0 0 9002 12.73900 17.23400 3.84400 0.000 0 0 0 9003 11.23900 17.34400 3.98100 0.000 0 0 0 9004 13.60200 16.20300 4.49400 0.000 0 0 0 9005 12.93700 15.39800 5.48700 0.000 0 0 0 9006 13.80200 14.37600 6.19900 0.000 0 0 0 9007 11.44000 15.46000 5.83400 0.000 0 0 0 9008 10.70200 16.57400 5.06000 0.000 0 0 0 9009 10.81100 14.20300 5.26200 0.000 0 0 0 9010 11.27500 15.61300 7.33600 0.000 0 0 0 9011 12.08600 17.24100 7.69800 0.000 0 0 0 9012 9.81800 15.85500 7.78100 0.000 0 0 0 9013 9.00300 14.85400 7.23600 0.000 0 0 0 9014 12.07200 14.51300 8.06900 0.000 0 0 0 9015 13.59800 14.57300 7.70500 0.000 0 0 0 9016 11.86700 14.64500 9.53000 0.000 0 0 0 9017 12.58300 13.78200 10.59300 0.000 0 0 0 9018 11.79200 14.08500 11.86800 0.000 0 0 0 9019 12.63900 14.34500 13.09500 0.000 0 0 0 9020 10.41600 14.89000 9.99300 0.000 0 0 0 9021 9.71100 16.07100 9.24700 0.000 0 0 0 9022 9.69500 13.55700 9.72900 0.000 0 0 0 9023 10.62800 15.01400 11.49800 0.000 0 0 0 9024 9.34800 14.88400 12.29400 0.000 0 0 0 9025 9.16900 14.01200 13.07200 0.000 0 0 0 9026 8.32400 15.97500 12.09600 0.000 0 0 0 9027 6.84500 15.23000 12.61600 0.000 0 0 0 9028 11.17700 16.35700 11.60900 0.000 0 0 0 9029 11.16500 17.11800 12.80400 0.000 0 0 0 9030 10.62500 16.65100 13.77400 0.000 0 0 0 9031 11.90000 18.38200 12.73200 0.000 0 0 0 9032 12.14400 19.35500 13.63600 0.000 0 0 0 9033 12.86800 20.26300 12.90200 0.000 0 0 0 9034 13.12900 19.83800 11.59800 0.000 0 0 0 9035 12.51900 18.63200 11.47100 0.000 0 0 0 9036 13.01914 22.08484 12.48100 1.547 925 0 0 9037 7.52952 17.40410 10.59956 1.412 268 0 0 9038 6.25556 16.24589 12.77620 1.400 1715 0 0 9039 10.72815 14.99561 6.95506 3.186 579 0 0 9040 11.20952 17.43885 4.85386 2.190 760 0 0 9041 10.54590 18.49832 4.95042 1.511 262 0 0 9042 10.12822 15.94007 10.71829 2.849 269 0 0 9043 6.94374 16.64911 11.50655 1.401 238 0 0 9044 7.26180 14.64304 11.68176 1.826 1806 0 0 9045 8.76960 16.54115 10.91292 1.990 241 0 0 9046 8.65142 16.87606 9.88572 1.473 259 0 0 9047 9.67062 13.74626 8.16325 2.323 571 0 0 9048 10.45831 14.40816 6.29774 2.619 571 0 0 9049 10.50464 17.41091 3.51293 1.457 285 0 0 9050 13.28550 12.93388 5.83830 1.422 599 0 0 9051 12.42192 12.72063 5.72652 1.422 599 0 0 9052 14.67830 13.41949 7.42244 1.400 607 0 0 9053 13.71053 14.17172 9.04437 1.747 947 0 0 9054 12.80717 14.64569 9.14058 2.178 947 0 0 9055 14.16270 14.14085 8.24300 1.740 947 0 0 9056 14.03525 15.71821 5.48525 2.096 632 0 0 9057 12.57021 14.28509 6.29719 2.243 579 0 0 9058 11.91806 13.54822 6.01366 1.929 579 0 0 9059 10.50464 12.96735 5.10700 1.427 571 0 0 9060 14.32594 12.69731 5.99290 1.400 579 0 0 9061 14.27765 17.95302 3.65073 1.400 760 0 0 9062 13.70641 21.63242 11.24452 1.517 925 0 0 9063 12.98256 22.13209 11.01561 1.400 261 0 0 9064 11.95429 20.54330 12.90868 1.721 261 0 0 9065 14.59882 18.99411 12.76059 1.400 948 0 0 9066 11.32951 17.54432 13.79233 1.550 241 0 0 9067 12.83235 15.88093 12.24209 2.457 947 0 0 9068 14.23438 16.05138 12.52685 1.618 916 0 0 9069 11.62554 16.00949 9.77400 2.828 261 0 0 9070 14.39959 20.00842 11.77867 1.400 925 0 0 9071 13.97336 17.29195 12.55900 1.400 916 0 0 9072 13.17614 17.75500 12.50212 1.910 916 0 0 9073 12.48864 17.75500 10.96498 1.861 261 0 0 9074 11.55081 13.32209 12.99135 1.808 1681 0 0 9075 10.75848 16.10929 12.68308 2.217 241 0 0 9076 9.80545 15.87444 12.89625 1.981 241 0 0 9077 10.13108 13.69446 13.11874 1.459 1688 0 0 9078 8.60648 15.67861 13.39656 1.916 241 0 0 9079 8.40450 14.71357 11.93797 2.500 269 0 0 9080 8.12395 14.05825 11.22300 1.999 269 0 0 9081 8.56092 13.77369 10.39557 1.864 269 0 0 9082 7.56516 13.80881 12.23000 1.727 1688 0 0 9083 8.05094 12.67600 8.86062 1.587 1692 0 0