REMARK Name = BDB051484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.945 -0.556 -0.355 0.00 0.00 -0.222 N ATOM 2 S LIG 1 -1.647 -2.004 0.060 0.00 0.00 +0.092 S ATOM 3 O LIG 1 -1.727 -2.999 -1.256 0.00 0.00 -0.136 OA ATOM 4 C LIG 1 -3.192 -1.188 0.255 0.00 0.00 +0.118 C ATOM 5 CL LIG 1 -4.562 -2.128 0.616 0.00 0.00 -0.073 Cl ATOM 6 C LIG 1 -3.138 0.138 0.161 0.00 0.00 +0.040 C ATOM 7 C LIG 1 -4.205 1.158 0.303 0.00 0.00 +0.051 C ATOM 8 C LIG 1 -1.761 0.538 -0.181 0.00 0.00 +0.255 C ATOM 9 O LIG 1 -1.430 1.707 -0.311 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 0.410 -0.433 -0.863 0.00 0.00 +0.134 C BRANCH 10 11 ATOM 11 C LIG 1 1.398 -0.092 0.245 0.00 0.00 +0.140 C BRANCH 11 12 ATOM 12 C LIG 1 2.791 0.042 -0.308 0.00 0.00 +0.308 C ATOM 13 O LIG 1 3.109 -0.141 -1.474 0.00 0.00 -0.251 OA BRANCH 12 15 ATOM 14 C LIG 1 5.003 0.544 0.273 0.00 0.00 +0.280 C ATOM 15 O LIG 1 3.647 0.388 0.695 0.00 0.00 -0.468 OA ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 4