REMARK Name = BDB011751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.019 0.621 -0.637 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.450 0.729 -0.232 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.996 1.838 -0.176 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -2.169 -0.468 -0.137 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.944 -1.297 1.053 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.739 -1.278 1.818 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.703 -1.953 3.061 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.784 -2.688 3.535 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.926 -2.778 2.764 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.512 -0.743 1.347 0.00 0.00 -0.263 N ATOM 11 C LIG 1 1.468 -0.234 2.241 0.00 0.00 +0.251 C ATOM 12 O LIG 1 1.214 0.226 3.353 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.998 -2.095 1.547 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.687 -0.629 -0.099 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 2.895 -0.287 1.848 0.00 0.00 +0.038 A ATOM 16 C LIG 1 3.683 0.864 1.948 0.00 0.00 +0.019 A ATOM 17 C LIG 1 5.047 0.819 1.620 0.00 0.00 -0.019 A ATOM 18 C LIG 1 5.607 -0.412 1.238 0.00 0.00 +0.006 A ATOM 19 C LIG 1 4.824 -1.565 1.162 0.00 0.00 +0.001 A ATOM 20 C LIG 1 3.467 -1.507 1.470 0.00 0.00 +0.013 A BRANCH 17 21 ATOM 21 C LIG 1 5.890 2.072 1.732 0.00 0.00 +0.141 C ATOM 22 C LIG 1 6.809 2.321 0.543 0.00 0.00 +0.043 C BRANCH 21 23 ATOM 23 O LIG 1 6.690 1.997 2.913 0.00 0.00 -0.387 OA ATOM 24 H LIG 1 6.229 1.411 3.538 0.00 0.00 +0.210 HD ENDBRANCH 21 23 ENDBRANCH 17 21 ENDBRANCH 11 15 BRANCH 1 26 ATOM 25 C LIG 1 1.831 2.315 -0.817 0.00 0.00 +0.230 C ATOM 26 N LIG 1 0.670 1.866 -0.220 0.00 0.00 -0.301 N ATOM 27 H LIG 1 0.085 2.526 0.286 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 2.438 1.620 -1.626 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 2.224 3.751 -0.386 0.00 0.00 +0.137 C ATOM 30 C LIG 1 1.355 4.779 -1.109 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 4.192 4.133 -1.834 0.00 0.00 +0.101 C ATOM 32 N LIG 1 3.676 4.013 -0.474 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 3.876 4.886 0.014 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 BRANCH 4 34 ATOM 34 C LIG 1 -3.536 -0.342 -0.687 0.00 0.00 +0.149 C BRANCH 34 35 ATOM 35 C LIG 1 -4.085 -1.540 -1.465 0.00 0.00 -0.019 A ATOM 36 C LIG 1 -5.427 -2.010 -1.224 0.00 0.00 -0.013 A ATOM 37 C LIG 1 -5.890 -3.154 -1.925 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -7.179 -3.666 -1.699 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -8.047 -3.060 -0.796 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -7.634 -1.929 -0.112 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -5.067 -3.785 -2.858 0.00 0.00 +0.009 A ATOM 42 C LIG 1 -3.802 -3.286 -3.143 0.00 0.00 +0.004 A ATOM 43 C LIG 1 -6.351 -1.414 -0.324 0.00 0.00 +0.009 A ATOM 44 C LIG 1 -3.309 -2.153 -2.485 0.00 0.00 -0.045 A ATOM 45 C LIG 1 -1.952 -1.658 -2.904 0.00 0.00 +0.044 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 8