REMARK Name = BDB019707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.762 -0.939 -1.351 0.00 0.00 +0.059 A ATOM 2 C LIG 1 -0.905 -1.783 -0.233 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -1.956 -1.549 0.684 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.812 -0.447 0.462 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.676 0.386 -0.660 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.647 0.126 -1.571 0.00 0.00 +0.020 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.268 -2.447 1.817 0.00 0.00 -0.013 A ATOM 8 C LIG 1 -2.914 -3.695 1.638 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -3.297 -4.208 0.275 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -3.178 -4.503 2.759 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.835 -4.071 4.036 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.099 -4.855 5.092 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.226 -2.841 4.230 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -1.946 -2.034 3.126 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 2 15 ATOM 15 N LIG 1 -0.017 -2.886 -0.089 0.00 0.00 -0.285 N ATOM 16 H LIG 1 0.421 -3.198 -0.959 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 0.794 -3.024 1.020 0.00 0.00 +0.214 C ATOM 18 O LIG 1 0.892 -2.211 1.937 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 1.654 -4.260 0.966 0.00 0.00 +0.109 C ENDBRANCH 2 15 BRANCH 1 22 ATOM 20 N LIG 1 1.175 -0.125 -2.652 0.00 0.00 -0.307 N ATOM 21 H LIG 1 1.912 -0.408 -3.288 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 0.351 -1.163 -2.301 0.00 0.00 +0.246 C ATOM 23 O LIG 1 0.547 -2.294 -2.740 0.00 0.00 -0.270 OA BRANCH 20 24 ATOM 24 C LIG 1 1.426 1.088 -1.893 0.00 0.00 +0.140 C BRANCH 24 29 ATOM 25 C LIG 1 4.462 0.463 0.332 0.00 0.00 +0.124 A ATOM 26 C LIG 1 5.472 1.087 -0.411 0.00 0.00 +0.091 A ATOM 27 C LIG 1 5.182 1.702 -1.627 0.00 0.00 +0.124 A ATOM 28 C LIG 1 3.864 1.703 -2.099 0.00 0.00 +0.051 A ATOM 29 C LIG 1 2.837 1.094 -1.367 0.00 0.00 -0.023 A ATOM 30 C LIG 1 3.149 0.464 -0.151 0.00 0.00 +0.051 A BRANCH 25 32 ATOM 31 C LIG 1 3.918 -0.785 2.288 0.00 0.00 +0.277 C ATOM 32 O LIG 1 4.891 -0.103 1.504 0.00 0.00 -0.495 OA ENDBRANCH 25 32 BRANCH 27 33 ATOM 33 O LIG 1 6.082 2.336 -2.446 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 7.440 2.358 -2.011 0.00 0.00 +0.277 C ENDBRANCH 27 33 ENDBRANCH 24 29 ENDBRANCH 20 24 ENDBRANCH 1 22 BRANCH 5 35 ATOM 35 C LIG 1 -3.611 1.552 -0.876 0.00 0.00 +0.139 C BRANCH 35 36 ATOM 36 N LIG 1 -2.922 2.782 -0.544 0.00 0.00 -0.313 N ATOM 37 H LIG 1 -2.445 2.747 0.347 0.00 0.00 +0.149 HD BRANCH 36 38 ATOM 38 C LIG 1 -3.534 3.968 -0.757 0.00 0.00 +0.176 C ATOM 39 N LIG 1 -2.902 5.025 -0.181 0.00 0.00 -0.316 N ATOM 40 H LIG 1 -1.896 5.002 -0.323 0.00 0.00 +0.149 HD ATOM 41 C LIG 1 -3.539 6.224 -0.696 0.00 0.00 +0.127 C ATOM 42 C LIG 1 -4.815 5.658 -1.328 0.00 0.00 +0.163 C ATOM 43 N LIG 1 -4.613 4.189 -1.446 0.00 0.00 -0.255 NA ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 10