REMARK Name = BDB051485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.081 -0.753 -0.033 0.00 0.00 -0.221 N ATOM 2 S LIG 1 2.542 -0.179 -0.588 0.00 0.00 +0.093 S ATOM 3 O LIG 1 3.362 -1.388 -1.359 0.00 0.00 -0.136 OA ATOM 4 C LIG 1 3.125 -0.054 1.064 0.00 0.00 +0.134 C ATOM 5 CL LIG 1 4.740 0.414 1.322 0.00 0.00 -0.071 Cl ATOM 6 C LIG 1 2.197 -0.284 1.982 0.00 0.00 +0.131 C ATOM 7 CL LIG 1 2.357 -0.204 3.671 0.00 0.00 -0.076 Cl ATOM 8 C LIG 1 0.932 -0.684 1.338 0.00 0.00 +0.271 C ATOM 9 O LIG 1 -0.092 -0.948 1.953 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 0.018 -1.224 -0.906 0.00 0.00 +0.134 C BRANCH 10 11 ATOM 11 C LIG 1 -0.689 -0.103 -1.654 0.00 0.00 +0.140 C BRANCH 11 12 ATOM 12 C LIG 1 -1.300 0.869 -0.684 0.00 0.00 +0.308 C ATOM 13 O LIG 1 -0.687 1.819 -0.213 0.00 0.00 -0.251 OA BRANCH 12 15 ATOM 14 C LIG 1 -3.191 1.341 0.604 0.00 0.00 +0.280 C ATOM 15 O LIG 1 -2.576 0.515 -0.386 0.00 0.00 -0.468 OA ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 4