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 29.11362 28.84234 11.31311 2.646 518 0 0 9002 32.84481 37.92263 25.59063 2.707 1266 0 0 9003 36.75877 30.40050 20.72966 1.575 373 0 0 9004 33.03811 26.69081 15.82250 2.261 488 0 0 9005 27.42600 31.28671 10.79921 2.371 557 0 0 9006 28.64896 30.09196 11.26451 2.336 1257 0 0 9007 30.33974 27.07200 12.84217 3.195 1255 0 0 9008 31.96528 38.56096 23.90424 2.453 1266 0 0 9009 33.26760 42.53033 18.24685 1.400 1231 0 0 9010 35.65977 31.75395 19.83084 1.401 373 0 0 9011 36.61359 38.61168 24.48427 1.590 837 0 0 9012 35.38870 38.70967 25.72519 2.044 837 0 0 9013 33.17101 40.71392 19.33083 1.895 1249 0 0 9014 29.87792 29.27039 10.04165 1.574 557 0 0 9015 24.15275 36.33569 12.01300 1.633 1043 0 0 9016 31.42730 24.19381 11.56733 1.419 521 0 0 9017 30.20259 38.37825 23.81953 1.770 1166 0 0 9018 30.98697 27.31611 13.58873 2.998 488 0 0 9019 31.65573 27.17711 14.78389 2.746 488 0 0 9020 34.16548 38.19624 25.34598 2.916 1268 0 0 9021 34.60537 31.46336 19.28400 1.652 373 0 0 9022 32.84513 38.87822 23.87717 2.827 1169 0 0 9023 30.22358 28.85634 11.99769 2.776 518 0 0 9024 37.09363 37.27972 13.89363 1.475 566 0 0 9025 26.25621 33.26900 10.73392 1.580 1091 0 0 9026 26.31984 31.24511 10.08945 1.615 1091 0 0 9027 35.47697 36.63756 24.08368 1.689 264 0 0 9028 27.04364 37.09294 12.75020 1.544 1240 0 0 9029 36.67622 27.08648 13.89946 1.603 531 0 0 9030 30.19104 34.77418 10.30104 1.514 565 0 0 9031 26.88283 36.32039 12.14439 2.087 1240 0 0 9032 35.61965 38.32722 24.25549 2.117 837 0 0 9033 31.59371 40.98901 23.75402 1.400 854 0 0 9034 36.17063 27.08423 14.56322 1.768 531 0 0 9035 34.98665 37.63841 24.21783 2.291 224 0 0 9036 30.70079 33.92527 10.60727 1.408 565 0 0 9037 31.62482 33.10434 10.85155 1.408 565 0 0 9038 34.35271 38.64591 19.85744 1.585 1249 0 0 9039 33.33205 27.85444 14.86512 2.464 374 0 0 9040 29.89260 30.47429 11.82360 2.298 557 0 0 9041 24.98895 35.71749 11.84021 1.569 1096 0 0 9042 33.75306 39.44001 22.55066 2.739 1169 0 0 9043 26.81841 30.93988 11.75100 1.729 1257 0 0 9044 34.81265 37.84557 20.05147 1.897 1249 0 0 9045 34.23056 40.53155 20.99300 2.082 839 0 0 9046 32.12004 27.47898 11.71600 2.035 518 0 0 9047 32.44613 32.53001 11.13079 1.673 565 0 0 9048 34.62141 37.75360 20.99300 2.026 1249 0 0 9049 28.75472 31.96000 11.61291 2.162 1254 0 0 9050 36.65503 38.57332 13.83944 1.401 818 0 0 9051 29.36566 34.89119 10.89217 2.120 565 0 0 9052 37.90818 37.34697 15.59621 1.584 809 0 0 9053 33.39296 28.01868 13.90178 2.272 529 0 0 9054 35.31525 27.35984 14.55075 1.739 531 0 0 9055 35.35505 36.57765 23.27442 1.486 1268 0 0 9056 29.92980 36.77630 11.28700 1.466 591 0 0 9057 34.15847 39.37477 20.96312 2.049 358 0 0 9058 27.94396 36.32800 12.57045 2.041 635 0 0 9059 30.38910 31.35562 11.94883 2.159 557 0 0 9060 26.83051 31.71232 12.12645 1.679 1091 0 0 9061 32.26814 29.40456 10.30920 1.563 524 0 0 9062 37.03888 36.21413 14.86473 1.599 566 0 0 9063 34.55998 33.46098 19.38680 1.998 265 0 0 9064 29.01505 32.92619 11.65941 2.214 1254 0 0 9065 34.60100 38.84400 23.99700 0.000 0 0 0 9066 32.22759 28.52351 11.82006 2.390 518 0 0 9067 34.44706 35.22240 15.23557 1.400 566 0 0 9068 34.70119 34.36849 20.13562 1.594 265 0 0 9069 37.18940 38.15216 14.29571 1.403 656 0 0 9070 33.83300 40.39300 21.84600 0.000 0 0 0 9071 31.87199 26.38262 11.36167 1.676 487 0 0 9072 31.78775 28.93288 13.37300 2.888 1255 0 0 9073 35.88382 36.26739 18.89940 2.279 644 0 0 9074 36.28201 36.18210 15.34009 1.686 566 0 0 9075 34.16600 38.07900 22.81300 0.000 0 0 0 9076 33.18549 35.07000 14.77223 1.564 644 0 0 9077 34.09400 38.89800 21.60800 0.000 0 0 0 9078 30.53662 33.80560 12.93888 1.908 1254 0 0 9079 35.20400 37.02600 22.60800 0.000 0 0 0 9080 35.03294 34.62954 17.83878 2.398 644 0 0 9081 31.51498 34.28798 14.27043 1.917 1250 0 0 9082 27.57000 34.24100 11.37500 0.000 0 0 0 9083 29.09000 36.10900 11.21900 0.000 0 0 0 9084 33.55500 27.69100 11.79900 0.000 0 0 0 9085 37.78300 36.89700 16.95100 0.000 0 0 0 9086 27.90300 35.65400 13.31800 0.000 0 0 0 9087 34.87000 35.97000 21.54400 0.000 0 0 0 9088 28.65700 34.96900 12.14700 0.000 0 0 0 9089 32.38600 29.71300 11.04600 0.000 0 0 0 9090 37.05500 36.71400 18.11700 0.000 0 0 0 9091 35.56100 36.31800 20.35500 0.000 0 0 0 9092 37.37100 36.27100 15.80600 0.000 0 0 0 9093 32.85500 28.96200 12.08000 0.000 0 0 0 9094 31.75100 30.90200 11.30700 0.000 0 0 0 9095 33.29998 28.25736 10.54055 1.569 518 0 0 9096 29.84300 32.94300 12.09600 0.000 0 0 0 9097 38.75116 36.93433 17.90569 1.537 370 0 0 9098 29.64800 34.18400 12.51400 0.000 0 0 0 9099 35.18100 35.69700 19.28100 0.000 0 0 0 9100 35.90100 35.88000 18.14300 0.000 0 0 0 9101 36.22200 35.44400 15.82000 0.000 0 0 0 9102 32.68900 29.39900 13.38700 0.000 0 0 0 9103 31.58900 31.33500 12.55500 0.000 0 0 0 9104 31.00200 32.52200 12.73100 0.000 0 0 0 9105 30.62300 34.54300 13.37200 0.000 0 0 0 9106 34.07000 34.87300 19.27700 0.000 0 0 0 9107 35.49700 35.25700 16.99400 0.000 0 0 0 9108 32.04200 30.60800 13.61700 0.000 0 0 0 9109 31.44900 33.49700 13.48600 0.000 0 0 0 9110 34.35300 40.34500 24.00600 0.000 0 0 0 9111 32.60300 33.46800 14.15600 0.000 0 0 0 9112 33.68000 34.24500 18.08700 0.000 0 0 0 9113 34.40300 34.44900 16.99300 0.000 0 0 0 9114 34.72500 40.90800 22.80300 0.000 0 0 0 9115 34.07700 33.89200 15.84000 0.000 0 0 0 9116 32.85000 33.99900 15.35200 0.000 0 0 0 9117 33.55176 32.64835 18.01895 1.447 530 0 0 9118 31.87735 31.85100 14.07616 1.627 1253 0 0 9119 32.49118 34.30885 16.92471 1.564 1246 0 0 9120 31.96300 34.53700 16.03100 0.000 0 0 0