REMARK Name = BDB051488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.004 -0.042 -0.214 0.00 0.00 -0.223 N ATOM 2 S LIG 1 0.979 -1.393 -0.187 0.00 0.00 +0.092 S ATOM 3 O LIG 1 0.895 -2.184 -1.635 0.00 0.00 -0.136 OA ATOM 4 C LIG 1 2.393 -0.353 -0.188 0.00 0.00 +0.115 C ATOM 5 CL LIG 1 3.941 -1.045 -0.263 0.00 0.00 -0.073 Cl ATOM 6 C LIG 1 2.131 0.941 -0.064 0.00 0.00 +0.098 C ATOM 7 C LIG 1 0.681 1.145 -0.053 0.00 0.00 +0.252 C ATOM 8 O LIG 1 0.192 2.259 0.058 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 10 ATOM 9 C LIG 1 -2.152 -0.193 0.957 0.00 0.00 +0.025 C ATOM 10 C LIG 1 -1.433 -0.096 -0.379 0.00 0.00 +0.120 C ENDBRANCH 1 10 TORSDOF 1