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 45 9001 41.02663 19.52451 47.70150 1.982 484 0 0 9002 41.29014 21.94869 45.73786 1.422 781 0 0 9003 40.29281 20.02807 49.23861 1.484 484 0 0 9004 39.60514 20.79390 50.75002 1.409 2312 0 0 9005 40.79700 21.10201 51.88336 1.732 450 0 0 9006 42.34155 20.38758 50.65919 1.824 459 0 0 9007 42.22002 19.61623 49.04400 2.110 459 0 0 9008 42.41595 20.24417 47.35101 2.003 1194 0 0 9009 41.04067 20.44028 46.47425 1.641 111 0 0 9010 41.79784 20.57363 46.06121 2.106 111 0 0 9011 41.99493 19.73193 46.67807 2.224 1193 0 0 9012 40.01458 21.31491 55.20207 1.484 1674 0 0 9013 41.57381 21.48756 53.73400 1.936 1673 0 0 9014 40.72738 21.84103 53.73400 1.855 2793 0 0 9015 43.20550 13.48135 48.43202 2.244 909 0 0 9016 45.75441 13.46466 49.96876 2.522 1214 0 0 9017 45.09964 14.53400 49.42039 2.326 1214 0 0 9018 45.04686 13.46364 49.22003 2.584 1214 0 0 9020 46.47244 13.12304 50.55018 2.715 1214 0 0 9021 46.42733 15.18240 50.60735 1.706 1428 0 0 9022 40.61619 19.12247 50.36780 1.400 484 0 0 9023 41.23293 18.26793 49.23935 1.400 484 0 0 9024 41.98837 20.91908 51.98700 2.122 113 0 0 9025 44.26214 15.13886 48.81717 2.155 1194 0 0 9026 43.86110 16.52018 48.98394 1.433 1194 0 0 9027 42.37051 15.91166 48.18600 2.057 459 0 0 9028 41.83224 19.08442 48.12455 2.315 1194 0 0 9029 41.70669 20.41797 44.73857 1.486 130 0 0 9030 42.07753 15.25254 46.99965 1.863 479 0 0 9031 44.65960 14.68624 47.07951 1.965 1214 0 0 9032 42.71204 14.88541 46.45023 1.421 821 0 0 9033 43.68327 14.18727 48.37408 2.645 456 0 0 9034 44.83151 13.20781 47.46260 2.338 1214 0 0 9035 45.15063 13.15553 46.55682 2.102 1214 0 0 9036 43.75112 14.40133 46.28303 1.470 821 0 0 9037 42.94628 21.33099 46.31245 1.630 1193 0 0 9038 43.16812 17.42289 48.80970 1.417 459 0 0 9039 44.98264 15.68885 49.55095 1.836 459 0 0 9040 42.21762 17.52649 48.08778 1.985 821 0 0 9041 45.19584 14.46060 46.23223 1.559 822 0 0 9042 46.08561 13.36559 45.52807 1.500 822 0 0 9043 46.64796 13.09551 45.00022 1.484 822 0 0 9044 43.38466 20.73554 52.09743 1.455 1427 0 0 9045 39.58097 21.62521 53.75169 1.400 450 0 0 9046 40.43533 22.26259 54.79744 1.400 1674 0 0