REMARK Name = BDB059009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.520 -0.631 1.830 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -1.457 -0.923 2.807 0.00 0.00 +0.181 A ATOM 3 F LIG 1 -1.105 -1.437 3.994 0.00 0.00 -0.200 F ATOM 4 C LIG 1 -2.770 -0.683 2.500 0.00 0.00 +0.156 A ATOM 5 N LIG 1 -3.169 -0.185 1.315 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 -2.207 0.087 0.422 0.00 0.00 +0.217 A ATOM 7 N LIG 1 -0.901 -0.122 0.640 0.00 0.00 -0.196 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 0.849 -0.845 2.137 0.00 0.00 -0.297 N ATOM 9 H LIG 1 0.954 -1.686 2.697 0.00 0.00 +0.154 HD BRANCH 8 14 ATOM 10 C LIG 1 4.403 0.140 0.023 0.00 0.00 +0.138 A ATOM 11 C LIG 1 4.376 -0.886 0.977 0.00 0.00 +0.084 A ATOM 12 CL LIG 1 5.796 -1.802 1.356 0.00 0.00 -0.080 Cl ATOM 13 C LIG 1 3.195 -1.204 1.660 0.00 0.00 +0.047 A ATOM 14 C LIG 1 2.002 -0.519 1.397 0.00 0.00 +0.034 A ATOM 15 C LIG 1 2.045 0.523 0.466 0.00 0.00 +0.027 A ATOM 16 C LIG 1 3.225 0.846 -0.221 0.00 0.00 +0.049 A BRANCH 10 18 ATOM 17 C LIG 1 5.639 1.417 -1.571 0.00 0.00 +0.277 C ATOM 18 O LIG 1 5.600 0.382 -0.597 0.00 0.00 -0.494 OA ENDBRANCH 10 18 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 6 19 ATOM 19 N LIG 1 -2.519 0.617 -0.820 0.00 0.00 -0.311 N ATOM 20 H LIG 1 -1.703 0.446 -1.399 0.00 0.00 +0.149 HD BRANCH 19 21 ATOM 21 C LIG 1 -3.802 0.228 -1.394 0.00 0.00 +0.067 C ATOM 22 C LIG 1 -3.661 0.171 -2.917 0.00 0.00 +0.027 C ATOM 23 C LIG 1 -4.873 1.252 -1.016 0.00 0.00 +0.027 C ENDBRANCH 19 21 ENDBRANCH 6 19 TORSDOF 5