REMARK Name = BDB062852 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.626 0.129 -0.166 0.00 0.00 +0.098 A ATOM 2 C LIG 1 -0.048 1.378 0.022 0.00 0.00 +0.145 A ATOM 3 CL LIG 1 -0.951 2.831 0.175 0.00 0.00 -0.061 Cl ATOM 4 N LIG 1 1.285 1.570 0.172 0.00 0.00 -0.220 NA ATOM 5 C LIG 1 2.063 0.467 0.098 0.00 0.00 +0.166 A ATOM 6 CL LIG 1 3.740 0.768 0.288 0.00 0.00 -0.059 Cl ATOM 7 C LIG 1 1.573 -0.816 -0.100 0.00 0.00 +0.161 A ATOM 8 F LIG 1 2.384 -1.881 -0.162 0.00 0.00 -0.202 F ATOM 9 C LIG 1 0.203 -0.995 -0.235 0.00 0.00 +0.059 A ENDROOT BRANCH 1 11 ATOM 10 O LIG 1 -2.679 0.467 -1.273 0.00 0.00 -0.245 OA ATOM 11 C LIG 1 -2.070 -0.029 -0.345 0.00 0.00 +0.340 C BRANCH 11 12 ATOM 12 O LIG 1 -2.625 -0.815 0.599 0.00 0.00 -0.477 OA ATOM 13 H LIG 1 -2.053 -1.085 1.342 0.00 0.00 +0.295 HD ENDBRANCH 11 12 ENDBRANCH 1 11 TORSDOF 2