REMARK Name = BDB059159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.999 -0.251 -0.692 0.00 0.00 +0.311 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.321 0.112 -0.022 0.00 0.00 +0.004 A ATOM 3 C LIG 1 2.555 -0.183 1.332 0.00 0.00 +0.009 A ATOM 4 C LIG 1 3.777 0.133 1.929 0.00 0.00 +0.020 A ATOM 5 C LIG 1 4.779 0.739 1.176 0.00 0.00 +0.041 A ATOM 6 CL LIG 1 6.286 1.126 1.911 0.00 0.00 -0.084 Cl ATOM 7 C LIG 1 4.571 1.029 -0.170 0.00 0.00 +0.020 A ATOM 8 C LIG 1 3.348 0.714 -0.769 0.00 0.00 +0.009 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 9 O LIG 1 1.321 -2.088 -2.292 0.00 0.00 -0.246 OA ATOM 10 C LIG 1 1.037 -1.713 -1.162 0.00 0.00 +0.351 C BRANCH 10 11 ATOM 11 O LIG 1 0.744 -2.618 -0.203 0.00 0.00 -0.478 OA ATOM 12 H LIG 1 0.824 -3.486 -0.650 0.00 0.00 +0.295 HD ENDBRANCH 10 11 ENDBRANCH 1 10 BRANCH 1 13 ATOM 13 O LIG 1 -0.064 0.047 0.214 0.00 0.00 -0.473 OA BRANCH 13 14 ATOM 14 C LIG 1 -1.345 0.088 -0.260 0.00 0.00 +0.123 A ATOM 15 C LIG 1 -2.310 0.334 0.722 0.00 0.00 +0.058 A ATOM 16 C LIG 1 -3.675 0.401 0.402 0.00 0.00 +0.058 A ATOM 17 C LIG 1 -4.062 0.232 -0.933 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -3.105 -0.012 -1.918 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -1.749 -0.085 -1.583 0.00 0.00 +0.046 A BRANCH 16 20 ATOM 20 C LIG 1 -4.696 0.689 1.473 0.00 0.00 +0.418 C ATOM 21 F LIG 1 -4.360 0.171 2.687 0.00 0.00 -0.166 F ATOM 22 F LIG 1 -5.929 0.184 1.185 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -4.877 2.023 1.671 0.00 0.00 -0.166 F ENDBRANCH 16 20 ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 6