REMARK Name = BDB010569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.361 1.410 -0.448 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.673 0.214 -0.540 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -1.524 -0.784 -0.117 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -2.658 -0.096 0.299 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -3.743 -0.678 0.834 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -3.627 -2.002 0.930 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.584 -2.773 0.543 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -1.506 -2.169 -0.009 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -2.546 1.243 0.085 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -1.030 2.641 -3.318 0.00 0.00 +0.029 C ATOM 11 C LIG 1 -1.538 3.226 -1.998 0.00 0.00 +0.087 C ATOM 12 N LIG 1 -0.802 2.584 -0.859 0.00 0.00 -0.296 N ATOM 13 C LIG 1 -0.561 3.533 0.268 0.00 0.00 +0.123 C ATOM 14 C LIG 1 -1.680 4.584 0.396 0.00 0.00 +0.100 C ATOM 15 N LIG 1 -1.822 5.455 -0.789 0.00 0.00 -0.313 NA ATOM 16 H LIG 1 -2.812 5.680 -0.890 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 -1.349 4.769 -2.005 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -4.768 -2.742 1.516 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -4.695 -4.080 1.617 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.932 -4.671 1.331 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -5.842 -4.493 2.170 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -6.143 -5.649 2.416 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -6.627 -3.393 2.413 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -5.879 -2.256 1.965 0.00 0.00 -0.051 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 C LIG 1 -0.443 -3.053 -0.461 0.00 0.00 +0.004 A ATOM 26 C LIG 1 0.395 -3.692 0.466 0.00 0.00 +0.030 A ATOM 27 C LIG 1 1.409 -4.544 0.029 0.00 0.00 +0.042 A ATOM 28 CL LIG 1 2.445 -5.293 1.181 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 1.594 -4.788 -1.329 0.00 0.00 +0.020 A ATOM 30 C LIG 1 0.753 -4.181 -2.260 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -0.262 -3.323 -1.828 0.00 0.00 +0.010 A ENDBRANCH 8 25 BRANCH 2 32 ATOM 32 C LIG 1 0.697 0.095 -1.007 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 1.763 0.565 0.001 0.00 0.00 +0.009 C ATOM 34 C LIG 1 3.146 0.564 -0.671 0.00 0.00 +0.005 C ATOM 35 C LIG 1 4.246 1.008 0.291 0.00 0.00 +0.003 C ATOM 36 C LIG 1 4.265 0.153 1.563 0.00 0.00 -0.014 C ATOM 37 C LIG 1 5.338 0.650 2.531 0.00 0.00 +0.007 C ATOM 38 C LIG 1 2.888 0.151 2.236 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.791 -0.297 1.271 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 5