REMARK Name = BDB009525 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.513 -1.739 -0.051 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -0.526 -0.779 0.116 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.568 -1.153 -0.637 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.195 -2.366 -1.188 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.988 -3.119 -1.963 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.201 -2.576 -2.131 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.647 -1.399 -1.633 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.837 -0.635 -0.882 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.075 -2.708 -0.833 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -5.904 0.466 0.995 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -4.954 -0.686 1.141 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -3.714 -0.668 0.487 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -2.826 -1.745 0.599 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -3.217 -2.872 1.335 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -4.465 -2.922 1.969 0.00 0.00 -0.050 A ATOM 16 C LIG 1 -4.857 -4.125 2.775 0.00 0.00 +0.044 C ATOM 17 C LIG 1 -5.321 -1.818 1.878 0.00 0.00 +0.006 A ENDBRANCH 1 13 BRANCH 6 18 ATOM 18 C LIG 1 3.193 -3.339 -2.968 0.00 0.00 +0.375 C ATOM 19 O LIG 1 4.333 -2.999 -3.241 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 2.713 -4.514 -3.439 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 3.457 -4.888 -3.953 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 2.252 0.586 -0.384 0.00 0.00 -0.324 N ATOM 23 H LIG 1 1.511 1.276 -0.437 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.564 1.185 -0.655 0.00 0.00 +0.072 C ATOM 25 C LIG 1 3.967 1.181 -2.128 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 4.715 0.702 0.245 0.00 0.00 +0.009 C ATOM 27 C LIG 1 4.425 0.616 1.769 0.00 0.00 +0.005 C ATOM 28 C LIG 1 4.374 -0.917 1.631 0.00 0.00 +0.001 C ATOM 29 C LIG 1 5.177 -0.777 0.326 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 -0.564 0.323 1.069 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -0.804 1.688 0.455 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -1.229 1.890 -0.867 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -1.431 3.182 -1.364 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -1.226 4.303 -0.550 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -0.800 4.106 0.770 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.598 2.816 1.266 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -1.423 5.697 -1.095 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -0.285 6.200 -1.648 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -2.374 5.761 -2.067 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.805 6.593 -0.142 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9