REMARK Name = BDB055314 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CL LIG 1 -4.244 2.260 -0.177 0.00 0.00 -0.084 Cl ATOM 2 C LIG 1 -3.039 1.030 -0.094 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -1.687 1.399 -0.053 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -0.706 0.388 0.014 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -1.141 -0.934 0.037 0.00 0.00 +0.136 A ATOM 6 O LIG 1 -0.086 -1.784 0.103 0.00 0.00 -0.453 OA ATOM 7 C LIG 1 1.046 -1.028 0.123 0.00 0.00 +0.156 A ATOM 8 C LIG 1 2.352 -1.523 0.188 0.00 0.00 +0.085 A ATOM 9 C LIG 1 3.398 -0.600 0.201 0.00 0.00 +0.045 A ATOM 10 C LIG 1 3.135 0.769 0.150 0.00 0.00 +0.061 A ATOM 11 C LIG 1 1.812 1.238 0.086 0.00 0.00 +0.071 A ATOM 12 CL LIG 1 1.402 2.901 0.021 0.00 0.00 -0.081 Cl ATOM 13 CL LIG 1 4.486 1.847 0.170 0.00 0.00 -0.082 Cl ATOM 14 CL LIG 1 2.680 -3.206 0.251 0.00 0.00 -0.080 Cl ATOM 15 C LIG 1 -2.477 -1.329 -0.003 0.00 0.00 +0.048 A ATOM 16 C LIG 1 0.729 0.332 0.071 0.00 0.00 +0.049 A ATOM 17 C LIG 1 -3.430 -0.308 -0.069 0.00 0.00 +0.023 A ENDROOT TORSDOF 0