REMARK Name = BDB051483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.624 -0.019 0.124 0.00 0.00 -0.217 N ATOM 2 S LIG 1 1.468 1.157 0.983 0.00 0.00 +0.092 S ATOM 3 O LIG 1 0.910 2.663 0.591 0.00 0.00 -0.136 OA ATOM 4 C LIG 1 2.903 0.845 0.033 0.00 0.00 +0.115 C ATOM 5 CL LIG 1 4.316 1.737 0.331 0.00 0.00 -0.073 Cl ATOM 6 C LIG 1 2.781 -0.130 -0.852 0.00 0.00 +0.098 C ATOM 7 C LIG 1 1.409 -0.641 -0.835 0.00 0.00 +0.253 C ATOM 8 O LIG 1 1.071 -1.506 -1.630 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 10 ATOM 9 C LIG 1 -1.504 0.391 -1.080 0.00 0.00 +0.032 C ATOM 10 C LIG 1 -0.852 -0.196 0.185 0.00 0.00 +0.042 C ATOM 11 C LIG 1 -1.214 -1.694 0.299 0.00 0.00 +0.032 C ATOM 12 C LIG 1 -1.491 0.494 1.415 0.00 0.00 +0.032 C ENDBRANCH 1 10 TORSDOF 1