COMPND 5SC 3-((3-BROMO-5-O-TOLYLPYRAZOLO(1,5-A)PYRIMIDIN-7- YLAMINO)METHYL)PYRIDINE 1-OXIDE REMARK 5SC Part of HIC-Up: http://xray.bmc.uu.se/hicup REMARK 5SC Extracted from PDB file pdb2r3q.ent REMARK 5SC Formula C19 H16 BR N5 O REMARK 5SC Nr of non-hydrogen atoms 26 REMARK 5SC Eigen-values covariance X/Y/Z 267.2 134.1 14.5 REMARK 5SC Residue type 5SC REMARK 5SC Residue name 985 REMARK 5SC Original residue name (for O) $A501 REMARK 5SC RESOLUTION. 1.35 ANGSTROMS. REMARK 5SC occurs in 0 other PDB entries REMARK 5SC HETATM 1 C01 5SC 985 -2.298 -3.338 0.438 1.00 20.00 HETATM 2 C02 5SC 985 -1.805 -2.059 0.303 1.00 20.00 HETATM 3 N03 5SC 985 -0.516 -2.187 -0.016 1.00 20.00 HETATM 4 N04 5SC 985 -0.115 -3.500 -0.070 1.00 20.00 HETATM 5 C05 5SC 985 -1.204 -4.206 0.191 1.00 20.00 HETATM 6 N06 5SC 985 -2.450 -0.843 0.404 1.00 20.00 HETATM 7 C07 5SC 985 -1.711 0.202 0.125 1.00 20.00 HETATM 8 C08 5SC 985 -0.386 0.089 -0.331 1.00 20.00 HETATM 9 C09 5SC 985 0.223 -1.134 -0.405 1.00 20.00 HETATM 10 N10 5SC 985 1.484 -1.411 -0.877 1.00 20.00 HETATM 11 C11 5SC 985 -2.320 1.526 0.213 1.00 20.00 HETATM 12 C12 5SC 985 2.204 -0.396 -1.719 1.00 20.00 HETATM 13 C13 5SC 985 3.315 0.267 -0.903 1.00 20.00 HETATM 14 C14 5SC 985 4.181 -0.467 -0.136 1.00 20.00 HETATM 15 N15 5SC 985 5.242 0.125 0.679 1.00 20.00 HETATM 16 C16 5SC 985 5.342 1.579 0.625 1.00 20.00 HETATM 17 C17 5SC 985 4.488 2.332 -0.144 1.00 20.00 HETATM 18 C18 5SC 985 3.475 1.697 -0.918 1.00 20.00 HETATM 19 C19 5SC 985 -3.503 1.845 -0.497 1.00 20.00 HETATM 20 C20 5SC 985 -4.033 3.146 -0.375 1.00 20.00 HETATM 21 C21 5SC 985 -3.393 4.088 0.397 1.00 20.00 HETATM 22 C22 5SC 985 -2.246 3.775 1.123 1.00 20.00 HETATM 23 C23 5SC 985 -1.695 2.492 1.014 1.00 20.00 HETATM 24 BR24 5SC 985 -4.071 -3.843 0.783 1.00 20.00 HETATM 25 C25 5SC 985 -4.226 0.835 -1.364 1.00 20.00 HETATM 26 O26 5SC 985 6.016 -0.613 1.459 1.00 20.00 REMARK 5SC ENDHET