REMARK Name = BDB006483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.707 -5.137 0.029 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.779 -3.737 0.533 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.207 -2.718 0.354 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.260 -1.559 0.980 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.481 -0.363 0.973 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.722 -0.352 0.330 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.217 -1.502 -0.286 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.500 -1.862 1.517 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.461 -2.682 -0.293 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.818 -3.183 1.266 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.091 -3.814 1.724 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.535 -1.507 -0.975 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.509 -0.704 -0.419 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.355 -0.329 0.507 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.721 -2.219 -1.954 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.858 -0.666 -0.954 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -6.633 -1.919 -0.526 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.498 0.669 -0.568 0.00 0.00 -0.016 A ATOM 19 C LIG 1 -6.099 1.878 -1.199 0.00 0.00 +0.060 A ATOM 20 C LIG 1 -6.695 3.096 -0.797 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -7.675 3.144 0.205 0.00 0.00 +0.055 A ATOM 22 C LIG 1 -8.045 1.953 0.832 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -7.465 0.739 0.453 0.00 0.00 +0.006 A BRANCH 19 24 ATOM 24 C LIG 1 -5.026 1.926 -2.276 0.00 0.00 +0.418 C ATOM 25 F LIG 1 -3.782 1.661 -1.791 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -5.246 1.061 -3.300 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -4.923 3.155 -2.863 0.00 0.00 -0.166 F ENDBRANCH 19 24 BRANCH 21 28 ATOM 28 C LIG 1 -8.281 4.462 0.628 0.00 0.00 +0.417 C ATOM 29 F LIG 1 -8.409 5.342 -0.403 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -9.525 4.332 1.165 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -7.529 5.093 1.570 0.00 0.00 -0.166 F ENDBRANCH 21 28 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 32 ATOM 32 C LIG 1 2.330 -0.922 2.273 0.00 0.00 +0.157 C BRANCH 32 33 ATOM 33 C LIG 1 3.507 -0.396 1.483 0.00 0.00 -0.028 A ATOM 34 C LIG 1 3.367 0.082 0.173 0.00 0.00 +0.006 A ATOM 35 C LIG 1 4.468 0.590 -0.524 0.00 0.00 +0.009 A ATOM 36 C LIG 1 5.736 0.651 0.072 0.00 0.00 -0.017 A ATOM 37 C LIG 1 5.870 0.179 1.386 0.00 0.00 +0.009 A ATOM 38 C LIG 1 4.771 -0.330 2.084 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 6.890 1.199 -0.662 0.00 0.00 -0.004 A ATOM 40 C LIG 1 7.644 2.304 -0.214 0.00 0.00 +0.067 A ATOM 41 C LIG 1 8.769 2.748 -0.927 0.00 0.00 +0.015 A ATOM 42 C LIG 1 9.143 2.118 -2.112 0.00 0.00 +0.001 A ATOM 43 C LIG 1 8.400 1.039 -2.583 0.00 0.00 +0.001 A ATOM 44 C LIG 1 7.290 0.584 -1.865 0.00 0.00 +0.009 A BRANCH 40 45 ATOM 45 C LIG 1 7.320 3.057 1.020 0.00 0.00 +0.337 C ATOM 46 O LIG 1 8.147 3.289 1.886 0.00 0.00 -0.245 OA BRANCH 45 47 ATOM 47 O LIG 1 6.057 3.530 1.045 0.00 0.00 -0.477 OA ATOM 48 H LIG 1 5.514 3.266 0.278 0.00 0.00 +0.295 HD ENDBRANCH 45 47 ENDBRANCH 40 45 ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10