REMARK Name = BDB000724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.941 0.641 0.064 0.00 0.00 +0.055 A ATOM 2 C LIG 1 -2.696 0.798 -1.308 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.653 0.103 -1.929 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -0.837 -0.757 -1.188 0.00 0.00 -0.025 A ATOM 5 C LIG 1 -1.093 -0.936 0.176 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.135 -0.242 0.797 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 F LIG 1 -5.246 0.673 0.678 0.00 0.00 -0.166 F ATOM 8 C LIG 1 -4.080 1.374 0.729 0.00 0.00 +0.417 C ATOM 9 F LIG 1 -4.345 2.582 0.157 0.00 0.00 -0.166 F ATOM 10 F LIG 1 -3.855 1.630 2.048 0.00 0.00 -0.166 F ENDBRANCH 1 8 BRANCH 4 11 ATOM 11 C LIG 1 0.243 -1.483 -1.867 0.00 0.00 +0.008 C ATOM 12 C LIG 1 1.548 -1.477 -1.543 0.00 0.00 +0.008 C BRANCH 12 13 ATOM 13 C LIG 1 2.186 -0.713 -0.465 0.00 0.00 -0.022 A ATOM 14 C LIG 1 2.039 0.676 -0.365 0.00 0.00 +0.028 A ATOM 15 C LIG 1 2.669 1.375 0.666 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 2.470 3.080 0.785 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 3.459 0.707 1.598 0.00 0.00 +0.040 A ATOM 18 C LIG 1 3.618 -0.672 1.488 0.00 0.00 +0.043 A ATOM 19 CL LIG 1 4.596 -1.510 2.629 0.00 0.00 -0.083 Cl ATOM 20 C LIG 1 2.992 -1.383 0.462 0.00 0.00 +0.028 A ENDBRANCH 12 13 ENDBRANCH 4 11 TORSDOF 3