REMARK Name = BDB051918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.369 -1.791 -0.859 0.00 0.00 +0.125 A ATOM 2 C LIG 1 0.256 -0.915 0.228 0.00 0.00 +0.012 A ATOM 3 C LIG 1 1.322 -0.041 0.509 0.00 0.00 +0.017 A ATOM 4 C LIG 1 2.492 -0.026 -0.270 0.00 0.00 -0.017 A ATOM 5 C LIG 1 2.564 -0.901 -1.364 0.00 0.00 +0.012 A ATOM 6 C LIG 1 1.508 -1.766 -1.665 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.599 0.894 0.039 0.00 0.00 -0.018 A ATOM 8 C LIG 1 3.379 2.277 0.172 0.00 0.00 +0.012 A ATOM 9 C LIG 1 4.421 3.177 0.475 0.00 0.00 -0.036 A ATOM 10 C LIG 1 4.082 4.635 0.620 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.727 2.672 0.619 0.00 0.00 +0.062 A ATOM 12 C LIG 1 5.954 1.292 0.503 0.00 0.00 +0.016 A ATOM 13 C LIG 1 4.904 0.417 0.214 0.00 0.00 +0.009 A BRANCH 11 14 ATOM 14 C LIG 1 6.925 3.500 0.912 0.00 0.00 +0.337 C ATOM 15 O LIG 1 7.919 3.119 1.504 0.00 0.00 -0.245 OA BRANCH 14 16 ATOM 16 O LIG 1 6.866 4.733 0.385 0.00 0.00 -0.477 OA ATOM 17 H LIG 1 7.731 5.129 0.619 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 O LIG 1 -0.702 -2.589 -1.164 0.00 0.00 -0.492 OA BRANCH 18 19 ATOM 19 C LIG 1 -0.395 -3.990 -1.222 0.00 0.00 +0.229 C BRANCH 19 20 ATOM 20 C LIG 1 -0.591 -4.624 0.155 0.00 0.00 +0.041 C BRANCH 20 22 ATOM 21 C LIG 1 -1.240 -6.958 -0.639 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -0.279 -6.120 0.189 0.00 0.00 -0.000 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 2 23 ATOM 23 C LIG 1 -0.992 -0.851 1.067 0.00 0.00 +0.143 C BRANCH 23 24 ATOM 24 N LIG 1 -1.955 0.055 0.486 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -1.977 0.111 -0.527 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 -3.023 0.524 1.212 0.00 0.00 +0.247 C ATOM 27 O LIG 1 -3.149 0.316 2.416 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.056 1.318 0.487 0.00 0.00 +0.072 A ATOM 29 C LIG 1 -4.015 1.551 -0.888 0.00 0.00 +0.136 A ATOM 30 F LIG 1 -3.028 1.054 -1.649 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -5.005 2.305 -1.522 0.00 0.00 +0.051 A ATOM 32 C LIG 1 -6.072 2.840 -0.786 0.00 0.00 +0.058 A ATOM 33 C LIG 1 -6.115 2.615 0.597 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -5.119 1.859 1.227 0.00 0.00 +0.016 A BRANCH 32 35 ATOM 35 C LIG 1 -7.129 3.668 -1.474 0.00 0.00 +0.418 C ATOM 36 F LIG 1 -7.450 3.192 -2.708 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.300 3.730 -0.783 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -6.732 4.956 -1.661 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 26 28 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 11