REMARK Name = BDB051487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.042 0.077 -0.212 0.00 0.00 -0.222 N ATOM 2 S LIG 1 0.683 1.571 -0.110 0.00 0.00 +0.093 S ATOM 3 O LIG 1 0.384 2.442 -1.480 0.00 0.00 -0.136 OA ATOM 4 C LIG 1 2.263 0.817 -0.251 0.00 0.00 +0.134 C ATOM 5 CL LIG 1 3.637 1.817 -0.318 0.00 0.00 -0.071 Cl ATOM 6 C LIG 1 2.232 -0.508 -0.225 0.00 0.00 +0.131 C ATOM 7 CL LIG 1 3.547 -1.582 -0.277 0.00 0.00 -0.076 Cl ATOM 8 C LIG 1 0.838 -0.985 -0.174 0.00 0.00 +0.271 C ATOM 9 O LIG 1 0.526 -2.167 -0.131 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -2.127 -0.246 1.051 0.00 0.00 +0.025 C ATOM 11 C LIG 1 -1.476 -0.111 -0.316 0.00 0.00 +0.120 C ENDBRANCH 1 11 TORSDOF 1