REMARK Name = BDB009532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.047 -0.226 0.051 0.00 0.00 +0.148 A ATOM 2 N LIG 1 0.678 0.003 0.028 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.098 -1.004 -0.715 0.00 0.00 +0.129 A ATOM 4 C LIG 1 1.179 -1.695 -1.238 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.080 -2.722 -2.095 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -0.191 -3.005 -2.408 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.305 -2.401 -1.934 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.196 -1.393 -1.048 0.00 0.00 +0.149 A ATOM 9 N LIG 1 2.362 -1.217 -0.761 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.002 0.552 2.230 0.00 0.00 +0.131 A ATOM 11 C LIG 1 3.022 0.538 0.829 0.00 0.00 +0.059 A ATOM 12 C LIG 1 4.033 1.242 0.162 0.00 0.00 +0.018 A ATOM 13 C LIG 1 4.974 1.999 0.875 0.00 0.00 -0.050 A ATOM 14 C LIG 1 6.065 2.727 0.146 0.00 0.00 +0.044 C ATOM 15 C LIG 1 4.917 2.019 2.274 0.00 0.00 +0.007 A ATOM 16 C LIG 1 3.929 1.304 2.951 0.00 0.00 +0.046 A BRANCH 10 17 ATOM 17 O LIG 1 2.031 -0.146 2.905 0.00 0.00 -0.492 OA BRANCH 17 19 ATOM 18 C LIG 1 1.458 -2.349 3.620 0.00 0.00 +0.048 C ATOM 19 C LIG 1 2.582 -1.342 3.474 0.00 0.00 +0.226 C ENDBRANCH 17 19 ENDBRANCH 10 17 ENDBRANCH 1 11 BRANCH 6 20 ATOM 20 C LIG 1 -0.434 -4.138 -3.372 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -1.520 -4.584 -3.711 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 0.700 -4.675 -3.876 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 0.384 -5.387 -4.468 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.335 -0.800 -0.512 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.235 -0.632 0.482 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.638 -1.391 -0.847 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.684 -0.288 -0.684 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -3.925 -2.617 0.029 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -4.118 -2.469 1.567 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.077 -3.673 1.487 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -5.329 -3.285 0.014 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.012 1.165 0.599 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.032 2.344 -0.346 0.00 0.00 -0.028 A ATOM 34 C LIG 1 0.982 3.364 -0.189 0.00 0.00 +0.006 A ATOM 35 C LIG 1 1.014 4.448 -1.069 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.098 4.537 -2.128 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.860 3.524 -2.277 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.890 2.437 -1.399 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 0.116 5.722 -3.061 0.00 0.00 +0.417 C ATOM 40 F LIG 1 1.361 6.247 -3.234 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.660 6.747 -2.610 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.340 5.430 -4.311 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11