REMARK Name = BDB047791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.079 -0.509 -0.403 0.00 0.00 -0.009 A ATOM 2 C LIG 1 -0.911 -1.545 0.043 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -2.301 -1.373 0.143 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.844 -0.127 -0.217 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -2.039 0.934 -0.666 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -0.655 0.722 -0.753 0.00 0.00 +0.015 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.166 -2.467 0.613 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -4.023 -2.288 1.711 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -4.846 -3.326 2.161 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -4.839 -4.571 1.517 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -3.981 -4.759 0.425 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -3.159 -3.719 -0.021 0.00 0.00 +0.009 A BRANCH 10 13 ATOM 13 C LIG 1 -5.710 -5.698 2.014 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -6.865 -5.267 2.594 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -6.089 -6.557 1.026 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -5.083 -6.461 2.951 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 -2.632 2.231 -1.034 0.00 0.00 -0.018 A ATOM 18 C LIG 1 -2.388 2.807 -2.291 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -2.950 4.039 -2.642 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -3.768 4.733 -1.740 0.00 0.00 +0.055 A ATOM 21 C LIG 1 -4.023 4.160 -0.487 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -3.459 2.928 -0.140 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 -4.392 6.051 -2.127 0.00 0.00 +0.417 C ATOM 24 F LIG 1 -5.583 5.891 -2.768 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -4.647 6.858 -1.059 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -3.610 6.785 -2.968 0.00 0.00 -0.166 F ENDBRANCH 20 23 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 C LIG 1 1.414 -0.704 -0.505 0.00 0.00 +0.264 C BRANCH 27 28 ATOM 28 O LIG 1 2.048 0.189 0.409 0.00 0.00 -0.487 OA BRANCH 28 32 ATOM 29 C LIG 1 6.207 0.401 0.699 0.00 0.00 +0.122 A ATOM 30 C LIG 1 5.649 -0.506 -0.201 0.00 0.00 +0.049 A ATOM 31 C LIG 1 4.256 -0.612 -0.331 0.00 0.00 +0.049 A ATOM 32 C LIG 1 3.414 0.191 0.438 0.00 0.00 +0.121 A ATOM 33 C LIG 1 3.975 1.097 1.337 0.00 0.00 +0.049 A ATOM 34 C LIG 1 5.362 1.202 1.467 0.00 0.00 +0.049 A BRANCH 29 35 ATOM 35 O LIG 1 7.542 0.600 0.920 0.00 0.00 -0.481 OA BRANCH 35 36 ATOM 36 C LIG 1 8.446 -0.207 0.159 0.00 0.00 +0.349 C BRANCH 36 38 ATOM 37 O LIG 1 10.863 -0.364 0.065 0.00 0.00 -0.247 OA ATOM 38 C LIG 1 9.869 0.158 0.548 0.00 0.00 +0.343 C BRANCH 38 39 ATOM 39 O LIG 1 9.938 1.129 1.491 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 9.029 1.409 1.740 0.00 0.00 +0.295 HD ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 11