REMARK Name = BDB019284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.230 2.689 -0.477 0.00 0.00 +0.046 C ATOM 2 C LIG 1 5.020 1.204 -0.422 0.00 0.00 -0.022 A ATOM 3 C LIG 1 3.809 0.614 -0.004 0.00 0.00 +0.092 A ATOM 4 N LIG 1 2.645 1.220 0.407 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 1.815 0.243 0.700 0.00 0.00 +0.116 A ATOM 6 C LIG 1 0.393 0.381 1.156 0.00 0.00 +0.082 C ATOM 7 C LIG 1 -0.513 0.775 -0.042 0.00 0.00 +0.068 C ATOM 8 C LIG 1 -1.801 -0.046 0.184 0.00 0.00 +0.134 C ATOM 9 C LIG 1 -2.650 -0.207 -1.056 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -3.903 0.369 -0.835 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -4.893 0.387 -1.794 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -4.596 -0.204 -3.022 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -3.342 -0.791 -3.265 0.00 0.00 +0.020 A ATOM 14 CL LIG 1 -5.790 -0.219 -4.263 0.00 0.00 -0.083 Cl ATOM 15 N LIG 1 -3.978 0.885 0.450 0.00 0.00 -0.283 N ATOM 16 H LIG 1 -4.782 1.339 0.859 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -2.355 -0.797 -2.275 0.00 0.00 +0.009 A ATOM 18 N LIG 1 -1.246 -1.314 0.721 0.00 0.00 -0.281 NA ATOM 19 C LIG 1 -2.796 0.675 1.156 0.00 0.00 +0.243 C ATOM 20 O LIG 1 -2.602 1.016 2.313 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -0.226 -0.935 1.715 0.00 0.00 +0.071 C ATOM 22 C LIG 1 0.811 -2.032 2.002 0.00 0.00 +0.041 C ATOM 23 C LIG 1 1.765 -2.230 0.832 0.00 0.00 +0.125 C ATOM 24 N LIG 1 2.414 -0.976 0.511 0.00 0.00 -0.327 N ATOM 25 C LIG 1 3.684 -0.775 0.038 0.00 0.00 +0.070 A ATOM 26 C LIG 1 4.714 -1.645 -0.337 0.00 0.00 +0.043 A ATOM 27 C LIG 1 5.909 -1.050 -0.769 0.00 0.00 +0.061 A ATOM 28 C LIG 1 6.069 0.340 -0.796 0.00 0.00 +0.020 A ENDROOT BRANCH 7 29 ATOM 29 C LIG 1 -0.686 2.262 -0.315 0.00 0.00 -0.004 A ATOM 30 C LIG 1 -0.715 2.713 -1.646 0.00 0.00 +0.145 A ATOM 31 F LIG 1 -0.584 1.822 -2.642 0.00 0.00 -0.204 F ATOM 32 C LIG 1 -0.885 4.064 -1.953 0.00 0.00 +0.076 A ATOM 33 CL LIG 1 -0.927 4.592 -3.592 0.00 0.00 -0.081 Cl ATOM 34 C LIG 1 -1.030 4.997 -0.931 0.00 0.00 +0.023 A ATOM 35 C LIG 1 -1.007 4.572 0.396 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -0.837 3.217 0.702 0.00 0.00 +0.007 A ENDBRANCH 7 29 BRANCH 27 37 ATOM 37 C LIG 1 7.051 -1.895 -1.185 0.00 0.00 +0.337 C ATOM 38 O LIG 1 8.195 -1.706 -0.817 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 6.683 -2.869 -2.044 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 5.773 -2.779 -2.384 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 27 37 BRANCH 18 41 ATOM 41 C LIG 1 -2.169 -2.388 1.069 0.00 0.00 +0.089 C BRANCH 41 42 ATOM 42 C LIG 1 -3.049 -2.188 2.264 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -4.534 -1.960 2.116 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -4.031 -3.275 2.634 0.00 0.00 +0.005 C ENDBRANCH 41 42 ENDBRANCH 18 41 TORSDOF 5