REMARK Name = BDB047517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.876 -1.080 -2.022 0.00 0.00 +0.235 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.289 0.168 -1.643 0.00 0.00 -0.492 OA BRANCH 2 7 ATOM 3 C LIG 1 -4.982 0.955 0.252 0.00 0.00 +0.033 C ATOM 4 C LIG 1 -3.643 0.517 -0.304 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -2.783 1.614 -0.441 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -1.478 1.468 -0.890 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -1.010 0.194 -1.217 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -1.858 -0.909 -1.067 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.436 2.881 0.008 0.00 0.00 +0.036 C ATOM 10 C LIG 1 -3.172 -0.752 -0.600 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -4.909 2.479 -0.063 0.00 0.00 +0.013 C BRANCH 3 12 ATOM 12 C LIG 1 -6.257 0.321 -0.348 0.00 0.00 +0.105 C BRANCH 12 14 ATOM 13 C LIG 1 -6.296 -1.588 1.399 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -6.512 -1.169 -0.049 0.00 0.00 +0.012 C ENDBRANCH 12 14 BRANCH 12 15 ATOM 15 C LIG 1 -7.477 1.087 0.125 0.00 0.00 +0.308 C ATOM 16 O LIG 1 -7.682 1.519 1.247 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 -8.398 1.245 -0.847 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 -9.128 1.732 -0.409 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 3 12 ENDBRANCH 2 7 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.421 -1.845 -0.815 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 2.640 -1.211 -0.244 0.00 0.00 +0.086 A ATOM 21 C LIG 1 2.754 -0.175 0.659 0.00 0.00 +0.126 A ATOM 22 C LIG 1 1.802 0.688 1.380 0.00 0.00 +0.088 C ATOM 23 O LIG 1 4.084 0.051 0.872 0.00 0.00 -0.440 OA ATOM 24 C LIG 1 4.718 -0.873 0.081 0.00 0.00 +0.228 A ATOM 25 N LIG 1 3.897 -1.648 -0.602 0.00 0.00 -0.214 NA BRANCH 24 26 ATOM 26 C LIG 1 6.179 -0.869 0.104 0.00 0.00 +0.037 A ATOM 27 C LIG 1 6.908 0.035 0.893 0.00 0.00 +0.025 A ATOM 28 C LIG 1 8.315 0.021 0.907 0.00 0.00 +0.056 A ATOM 29 C LIG 1 8.993 -0.906 0.102 0.00 0.00 +0.012 A ATOM 30 C LIG 1 8.281 -1.809 -0.686 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.885 -1.790 -0.682 0.00 0.00 +0.013 A BRANCH 28 32 ATOM 32 C LIG 1 9.078 1.017 1.745 0.00 0.00 +0.417 C ATOM 33 F LIG 1 10.325 0.587 2.087 0.00 0.00 -0.166 F ATOM 34 F LIG 1 9.255 2.205 1.104 0.00 0.00 -0.166 F ATOM 35 F LIG 1 8.454 1.315 2.919 0.00 0.00 -0.166 F ENDBRANCH 28 32 ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10