REMARK Name = BDB026043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.065 0.498 -0.316 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.786 -0.870 -0.080 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.471 -1.352 -0.141 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.607 -0.500 -0.438 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.307 0.848 -0.678 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.280 1.727 -0.963 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.997 1.344 -0.618 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.185 3.837 1.296 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.311 2.796 1.315 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.340 3.197 0.320 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.676 3.187 0.924 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.307 2.370 -0.916 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.836 3.189 -2.099 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.886 1.848 -1.265 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.397 0.954 -0.200 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.762 1.348 1.183 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.987 -1.017 -0.509 0.00 0.00 -0.023 C ATOM 18 C LIG 1 3.139 -0.205 -1.051 0.00 0.00 +0.143 C ATOM 19 N LIG 1 4.212 -1.184 -1.073 0.00 0.00 -0.292 N ATOM 20 C LIG 1 3.896 -2.388 -0.339 0.00 0.00 +0.136 C ATOM 21 C LIG 1 2.427 -2.224 -0.111 0.00 0.00 -0.002 C BRANCH 19 22 ATOM 22 C LIG 1 5.511 -0.774 -1.188 0.00 0.00 +0.218 A ATOM 23 N LIG 1 5.758 0.479 -1.606 0.00 0.00 -0.222 NA ATOM 24 C LIG 1 7.047 0.855 -1.730 0.00 0.00 +0.120 A ATOM 25 C LIG 1 8.118 0.036 -1.456 0.00 0.00 +0.003 A ATOM 26 C LIG 1 7.765 -1.227 -1.043 0.00 0.00 +0.120 A ATOM 27 N LIG 1 6.492 -1.648 -0.903 0.00 0.00 -0.222 NA BRANCH 25 28 ATOM 28 C LIG 1 9.541 0.477 -1.608 0.00 0.00 +0.122 C BRANCH 28 29 ATOM 29 N LIG 1 10.185 1.085 -0.436 0.00 0.00 -0.304 NA ATOM 30 C LIG 1 10.329 0.171 0.693 0.00 0.00 +0.104 C ATOM 31 C LIG 1 9.576 2.345 -0.021 0.00 0.00 +0.104 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 19 22 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -2.908 -1.686 0.181 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.778 -1.162 0.130 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -2.941 -3.030 0.450 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -2.005 -3.813 0.529 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -4.332 -3.524 0.641 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -5.059 -3.395 1.898 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -6.318 -3.872 1.979 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -6.959 -4.518 0.807 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -8.106 -4.940 0.866 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -6.188 -4.600 -0.326 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -6.620 -5.057 -1.122 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -4.903 -4.123 -0.415 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -4.371 -2.753 3.062 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -4.098 -1.445 2.817 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.204 -3.358 3.381 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -5.137 -2.772 4.185 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 8