REMARK Name = BDB048669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.724 0.000 0.025 0.00 0.00 -0.015 A ATOM 2 C LIG 1 1.459 1.141 0.382 0.00 0.00 +0.030 A ATOM 3 C LIG 1 2.861 1.129 0.388 0.00 0.00 +0.061 A ATOM 4 CL LIG 1 3.655 2.597 0.846 0.00 0.00 -0.082 Cl ATOM 5 C LIG 1 3.564 -0.029 0.036 0.00 0.00 +0.078 A ATOM 6 CL LIG 1 5.299 -0.048 0.044 0.00 0.00 -0.081 Cl ATOM 7 C LIG 1 2.839 -1.173 -0.322 0.00 0.00 +0.061 A ATOM 8 CL LIG 1 3.607 -2.658 -0.771 0.00 0.00 -0.082 Cl ATOM 9 C LIG 1 1.437 -1.155 -0.327 0.00 0.00 +0.030 A ENDROOT BRANCH 1 15 ATOM 10 CL LIG 1 -5.300 0.088 0.071 0.00 0.00 -0.082 Cl ATOM 11 C LIG 1 -3.575 0.045 0.008 0.00 0.00 +0.059 A ATOM 12 C LIG 1 -2.873 -0.375 -1.125 0.00 0.00 +0.060 A ATOM 13 CL LIG 1 -3.670 -0.889 -2.570 0.00 0.00 -0.082 Cl ATOM 14 C LIG 1 -1.472 -0.389 -1.116 0.00 0.00 +0.030 A ATOM 15 C LIG 1 -0.748 0.016 0.019 0.00 0.00 -0.016 A ATOM 16 C LIG 1 -1.472 0.436 1.147 0.00 0.00 +0.010 A ATOM 17 C LIG 1 -2.870 0.451 1.143 0.00 0.00 +0.022 A ENDBRANCH 1 15 TORSDOF 1