REMARK Name = BDB063771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.121 -0.288 0.589 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.352 -1.139 0.927 0.00 0.00 -0.001 A ATOM 3 C LIG 1 -2.364 -1.512 0.018 0.00 0.00 +0.049 A ATOM 4 CL LIG 1 -2.348 -1.076 -1.652 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -3.444 -2.297 0.436 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -3.521 -2.724 1.753 0.00 0.00 +0.125 A ATOM 7 F LIG 1 -4.557 -3.477 2.144 0.00 0.00 -0.205 F ATOM 8 C LIG 1 -2.536 -2.392 2.668 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -1.456 -1.609 2.259 0.00 0.00 +0.010 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 C LIG 1 2.396 -0.581 0.352 0.00 0.00 +0.221 C ATOM 11 N LIG 1 1.088 -1.063 0.173 0.00 0.00 -0.257 N ATOM 12 O LIG 1 3.388 -1.153 -0.108 0.00 0.00 -0.275 OA BRANCH 11 13 ATOM 13 C LIG 1 0.915 -2.087 -0.806 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.261 -1.856 -2.144 0.00 0.00 +0.025 A ATOM 15 C LIG 1 1.089 -2.860 -3.099 0.00 0.00 +0.022 A ATOM 16 C LIG 1 0.589 -4.102 -2.713 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 0.373 -5.340 -3.889 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 0.268 -4.351 -1.380 0.00 0.00 +0.022 A ATOM 19 C LIG 1 0.439 -3.346 -0.425 0.00 0.00 +0.025 A ENDBRANCH 11 13 BRANCH 10 20 ATOM 20 C LIG 1 2.585 0.649 1.237 0.00 0.00 +0.097 C BRANCH 20 21 ATOM 21 C LIG 1 3.939 1.339 1.031 0.00 0.00 +0.020 C BRANCH 21 22 ATOM 22 C LIG 1 4.073 2.020 -0.336 0.00 0.00 +0.121 C BRANCH 22 24 ATOM 23 O LIG 1 2.413 3.684 0.347 0.00 0.00 -0.251 OA ATOM 24 C LIG 1 3.177 3.223 -0.485 0.00 0.00 +0.305 C BRANCH 24 25 ATOM 25 O LIG 1 3.302 3.796 -1.698 0.00 0.00 -0.481 OA ATOM 26 H LIG 1 2.649 4.526 -1.690 0.00 0.00 +0.295 HD ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 1 27 ATOM 27 C LIG 1 -0.372 0.923 -0.346 0.00 0.00 +0.188 C ATOM 28 O LIG 1 0.354 1.186 -1.307 0.00 0.00 -0.290 OA BRANCH 27 29 ATOM 29 C LIG 1 -1.482 1.878 -0.043 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -2.029 2.608 -1.109 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -3.071 3.512 -0.889 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -3.563 3.696 0.400 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -4.846 4.807 0.676 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -3.018 2.988 1.470 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -1.974 2.081 1.253 0.00 0.00 +0.013 A ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10