REMARK Name = BDB000640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 3.753 0.108 -0.008 0.00 0.00 -0.266 OA ATOM 2 C LIG 1 2.544 0.065 -0.005 0.00 0.00 +0.289 C ATOM 3 C LIG 1 1.665 -1.215 0.081 0.00 0.00 +0.249 C ATOM 4 O LIG 1 2.032 -2.363 0.159 0.00 0.00 -0.282 OA ATOM 5 C LIG 1 0.282 -0.735 0.049 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.330 0.654 -0.044 0.00 0.00 +0.063 A ATOM 7 C LIG 1 -0.838 1.392 -0.093 0.00 0.00 +0.064 A ATOM 8 C LIG 1 -2.057 0.708 -0.047 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.081 -0.697 0.048 0.00 0.00 +0.043 A ATOM 10 CL LIG 1 -3.597 -1.510 0.103 0.00 0.00 -0.083 Cl ATOM 11 CL LIG 1 -0.810 3.105 -0.209 0.00 0.00 -0.082 Cl ATOM 12 C LIG 1 -0.903 -1.443 0.097 0.00 0.00 +0.033 A ATOM 13 N LIG 1 1.648 1.112 -0.075 0.00 0.00 -0.277 N ATOM 14 H LIG 1 1.931 2.081 -0.141 0.00 0.00 +0.155 HD ENDROOT TORSDOF 0