REMARK Name = BDB041168 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.202 0.818 0.289 0.00 0.00 +0.131 C ATOM 2 N LIG 1 1.042 -0.456 -0.432 0.00 0.00 -0.312 N ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 2.284 -0.981 -0.863 0.00 0.00 +0.161 A ATOM 4 C LIG 1 2.435 -2.239 -1.444 0.00 0.00 +0.181 A ATOM 5 F LIG 1 1.423 -3.095 -1.647 0.00 0.00 -0.200 F ATOM 6 C LIG 1 3.699 -2.618 -1.844 0.00 0.00 +0.155 A ATOM 7 N LIG 1 4.790 -1.842 -1.721 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 4.569 -0.629 -1.188 0.00 0.00 +0.169 A ATOM 9 N LIG 1 3.375 -0.184 -0.745 0.00 0.00 -0.209 NA BRANCH 8 10 ATOM 10 C LIG 1 5.701 0.268 -1.061 0.00 0.00 +0.102 A ATOM 11 C LIG 1 6.723 0.055 -0.138 0.00 0.00 +0.062 A ATOM 12 N LIG 1 7.781 0.904 -0.046 0.00 0.00 -0.239 NA ATOM 13 C LIG 1 7.804 1.956 -0.870 0.00 0.00 +0.225 A ATOM 14 N LIG 1 6.883 2.252 -1.787 0.00 0.00 -0.201 NA ATOM 15 C LIG 1 5.844 1.395 -1.858 0.00 0.00 +0.229 A BRANCH 11 16 ATOM 16 C LIG 1 6.717 -1.131 0.811 0.00 0.00 +0.039 C ATOM 17 C LIG 1 5.739 -1.186 1.964 0.00 0.00 +0.010 C ATOM 18 C LIG 1 7.194 -0.955 2.237 0.00 0.00 +0.010 C ENDBRANCH 11 16 BRANCH 15 19 ATOM 19 O LIG 1 4.869 1.626 -2.816 0.00 0.00 -0.479 OA ATOM 20 C LIG 1 5.008 2.875 -3.488 0.00 0.00 +0.279 C ENDBRANCH 15 19 ENDBRANCH 8 10 ENDBRANCH 2 3 BRANCH 2 21 ATOM 21 C LIG 1 0.083 -1.407 0.154 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 C LIG 1 -1.298 -0.805 0.354 0.00 0.00 -0.030 A ATOM 23 C LIG 1 -1.940 -0.896 1.596 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -3.220 -0.362 1.769 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -3.887 0.250 0.701 0.00 0.00 +0.017 A ATOM 26 C LIG 1 -3.241 0.361 -0.533 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -1.964 -0.176 -0.710 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 -5.221 0.804 0.905 0.00 0.00 +0.142 A ATOM 29 N LIG 1 -6.415 0.241 0.502 0.00 0.00 -0.327 N ATOM 30 C LIG 1 -7.424 1.086 0.903 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -6.816 2.126 1.578 0.00 0.00 +0.162 A ATOM 32 N LIG 1 -5.446 1.932 1.557 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 -7.450 3.300 2.265 0.00 0.00 +0.436 C ATOM 34 F LIG 1 -7.312 3.235 3.615 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -6.927 4.491 1.868 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -8.787 3.367 2.019 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 -6.668 -1.032 -0.172 0.00 0.00 +0.083 C ATOM 38 C LIG 1 -6.380 -0.974 -1.669 0.00 0.00 +0.030 C ATOM 39 C LIG 1 -6.012 -2.241 0.496 0.00 0.00 +0.030 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9