REMARK Name = BDB000583 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -2.504 -1.136 0.017 0.00 0.00 -0.282 OA ATOM 2 C LIG 1 -1.391 -0.628 0.010 0.00 0.00 +0.246 C ATOM 3 C LIG 1 -1.179 0.839 -0.004 0.00 0.00 +0.111 C ATOM 4 CL LIG 1 -2.613 1.809 -0.007 0.00 0.00 -0.078 Cl ATOM 5 C LIG 1 0.068 1.341 -0.012 0.00 0.00 +0.083 C ATOM 6 CL LIG 1 0.298 3.074 -0.027 0.00 0.00 -0.080 Cl ATOM 7 C LIG 1 1.252 0.483 -0.008 0.00 0.00 +0.083 C ATOM 8 CL LIG 1 2.828 1.244 -0.019 0.00 0.00 -0.080 Cl ATOM 9 C LIG 1 1.165 -0.858 0.004 0.00 0.00 +0.111 C ATOM 10 CL LIG 1 2.535 -1.917 0.009 0.00 0.00 -0.078 Cl ATOM 11 C LIG 1 -0.162 -1.517 0.013 0.00 0.00 +0.246 C ATOM 12 O LIG 1 -0.297 -2.733 0.024 0.00 0.00 -0.282 OA ENDROOT TORSDOF 0