REMARK Name = BDB033647 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.519 -0.946 -1.974 0.00 0.00 -0.028 A ATOM 2 C LIG 1 1.005 -0.425 -3.188 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.093 0.191 -4.213 0.00 0.00 +0.044 C ATOM 4 C LIG 1 2.388 -0.418 -3.418 0.00 0.00 +0.004 A ATOM 5 C LIG 1 3.281 -0.918 -2.466 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.821 -1.449 -1.252 0.00 0.00 -0.039 A ATOM 7 C LIG 1 1.433 -1.467 -1.038 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -0.952 -0.933 -1.609 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.020 0.406 -0.710 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -3.949 1.254 0.450 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -3.381 2.477 0.263 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -2.011 2.635 0.075 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -1.454 3.909 -0.070 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -2.283 5.030 -0.009 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -3.654 4.874 0.205 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -0.990 1.198 0.025 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -1.319 0.361 1.157 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 0.374 1.638 -0.184 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -1.515 0.424 -1.399 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -4.203 3.598 0.350 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.941 0.570 -1.806 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -5.351 -1.297 0.637 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.122 -1.053 -0.230 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 3.829 -1.972 -0.227 0.00 0.00 +0.066 C BRANCH 24 25 ATOM 25 C LIG 1 3.927 -1.215 1.093 0.00 0.00 +0.001 A ATOM 26 S LIG 1 2.568 -0.580 1.925 0.00 0.00 -0.087 S ATOM 27 C LIG 1 3.507 0.102 3.176 0.00 0.00 +0.090 A ATOM 28 C LIG 1 4.832 -0.194 2.975 0.00 0.00 +0.141 A ATOM 29 F LIG 1 5.816 0.197 3.797 0.00 0.00 -0.204 F ATOM 30 C LIG 1 5.087 -0.939 1.799 0.00 0.00 +0.051 A BRANCH 27 31 ATOM 31 C LIG 1 2.917 0.865 4.266 0.00 0.00 +0.169 C ATOM 32 O LIG 1 3.592 1.350 5.178 0.00 0.00 -0.292 OA ATOM 33 C LIG 1 1.418 1.073 4.282 0.00 0.00 +0.092 C ENDBRANCH 27 31 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 C LIG 1 3.817 -3.497 -0.063 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 2.576 -4.073 0.566 0.00 0.00 +0.306 C ATOM 36 O LIG 1 2.418 -4.212 1.768 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 1.640 -4.459 -0.332 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 1.862 -4.240 -1.259 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 6 24 TORSDOF 9