REMARK Name = BDB051492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.023 0.135 -0.497 0.00 0.00 -0.277 N ATOM 2 C LIG 1 0.960 -0.811 -0.112 0.00 0.00 +0.278 A ATOM 3 O LIG 1 0.759 -2.009 0.024 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 2.268 -0.148 0.130 0.00 0.00 +0.132 A ATOM 5 CL LIG 1 3.641 -1.047 0.580 0.00 0.00 -0.076 Cl ATOM 6 C LIG 1 2.176 1.173 -0.040 0.00 0.00 +0.118 A ATOM 7 CL LIG 1 3.460 2.288 0.155 0.00 0.00 -0.073 Cl ATOM 8 S LIG 1 0.602 1.732 -0.494 0.00 0.00 +0.005 S ENDROOT BRANCH 1 10 ATOM 9 C LIG 1 -2.158 -0.139 0.619 0.00 0.00 +0.028 C ATOM 10 C LIG 1 -1.382 -0.163 -0.689 0.00 0.00 +0.130 C ENDBRANCH 1 10 TORSDOF 1