REMARK Name = BDB014271 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.122 -2.770 -0.739 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -1.529 -1.539 -1.029 0.00 0.00 +0.079 A ATOM 3 C LIG 1 -2.060 -0.705 -2.003 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -1.253 0.455 -2.063 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.243 0.317 -1.127 0.00 0.00 +0.056 A ATOM 6 N LIG 1 -3.160 -1.018 -2.727 0.00 0.00 -0.253 NA ATOM 7 C LIG 1 -3.719 -2.209 -2.429 0.00 0.00 +0.112 A ATOM 8 N LIG 1 -0.420 -0.905 -0.519 0.00 0.00 -0.353 N ATOM 9 H LIG 1 0.177 -1.281 0.211 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 -3.256 -3.103 -1.479 0.00 0.00 +0.037 A ENDROOT BRANCH 1 12 ATOM 11 O LIG 1 -0.558 -3.393 0.965 0.00 0.00 -0.245 OA ATOM 12 C LIG 1 -1.543 -3.645 0.296 0.00 0.00 +0.339 C BRANCH 12 13 ATOM 13 O LIG 1 -2.226 -4.792 0.444 0.00 0.00 -0.477 OA ATOM 14 H LIG 1 -1.742 -5.269 1.152 0.00 0.00 +0.295 HD ENDBRANCH 12 13 ENDBRANCH 1 12 BRANCH 5 15 ATOM 15 C LIG 1 0.872 1.242 -0.768 0.00 0.00 +0.282 C BRANCH 15 16 ATOM 16 O LIG 1 1.589 0.649 0.323 0.00 0.00 -0.484 OA BRANCH 16 17 ATOM 17 C LIG 1 2.068 1.603 1.181 0.00 0.00 +0.139 A ATOM 18 C LIG 1 3.214 2.364 0.913 0.00 0.00 +0.085 A ATOM 19 CL LIG 1 4.127 2.162 -0.536 0.00 0.00 -0.080 Cl ATOM 20 C LIG 1 3.653 3.304 1.843 0.00 0.00 +0.062 A ATOM 21 C LIG 1 2.953 3.463 3.033 0.00 0.00 +0.125 A ATOM 22 F LIG 1 3.370 4.374 3.920 0.00 0.00 -0.205 F ATOM 23 C LIG 1 1.832 2.693 3.319 0.00 0.00 +0.042 A ATOM 24 C LIG 1 1.394 1.748 2.396 0.00 0.00 +0.050 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 5 15 TORSDOF 5