REMARK Name = BDB049195 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.167 -0.445 0.219 0.00 0.00 +0.071 A ATOM 2 C LIG 1 1.051 -1.426 -0.020 0.00 0.00 +0.129 A ATOM 3 CL LIG 1 0.513 -3.062 -0.243 0.00 0.00 -0.076 Cl ATOM 4 C LIG 1 2.518 -1.180 -0.129 0.00 0.00 +0.287 A ATOM 5 O LIG 1 3.307 -2.105 -0.321 0.00 0.00 -0.265 OA ATOM 6 N LIG 1 2.912 0.149 -0.009 0.00 0.00 -0.231 N ATOM 7 C LIG 1 4.320 0.496 -0.070 0.00 0.00 +0.176 C ATOM 8 N LIG 1 2.057 1.176 0.294 0.00 0.00 -0.175 NA ATOM 9 C LIG 1 0.801 0.887 0.399 0.00 0.00 +0.157 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -1.216 -0.593 0.330 0.00 0.00 -0.339 N ATOM 11 H LIG 1 -1.515 -1.539 0.080 0.00 0.00 +0.146 HD BRANCH 10 13 ATOM 12 C LIG 1 -2.367 0.729 -1.378 0.00 0.00 +0.027 C ATOM 13 C LIG 1 -2.239 0.424 0.112 0.00 0.00 +0.064 C ATOM 14 C LIG 1 -3.566 -0.090 0.669 0.00 0.00 +0.027 C ENDBRANCH 10 13 ENDBRANCH 1 10 TORSDOF 2