COMPND 65B 4-((6-AMINO-5-BROMO-2-((4-CYANOPHENYL)AMINO)PYRIMIDIN- 4-YL)OXY)-3,5-DIMETHYLBENZONITRILE REMARK 65B Part of HIC-Up: http://xray.bmc.uu.se/hicup REMARK 65B Extracted from PDB file pdb1sv5.ent REMARK 65B Formula C20 H15 BR N6 O REMARK 65B Nr of non-hydrogen atoms 28 REMARK 65B Eigen-values covariance X/Y/Z 298.4 165.1 21.6 REMARK 65B Residue type 65B REMARK 65B Residue name 1017 REMARK 65B Original residue name (for O) $600 REMARK 65B RESOLUTION. 2.90 ANGSTROMS. REMARK 65B occurs in 0 other PDB entries REMARK 65B HETATM 1 C1 65B 1017 2.262 0.464 0.981 1.00 20.00 HETATM 2 O17 65B 1017 1.862 -0.732 1.650 1.00 20.00 HETATM 3 C2 65B 1017 3.671 0.664 0.579 1.00 20.00 HETATM 4 C2' 65B 1017 4.779 -0.377 0.835 1.00 20.00 HETATM 5 C3 65B 1017 4.059 1.866 -0.094 1.00 20.00 HETATM 6 C4 65B 1017 3.107 2.884 -0.375 1.00 20.00 HETATM 7 C5 65B 1017 1.742 2.717 0.002 1.00 20.00 HETATM 8 C6 65B 1017 1.292 1.537 0.681 1.00 20.00 HETATM 9 C6' 65B 1017 -0.202 1.448 1.059 1.00 20.00 HETATM 10 C13 65B 1017 1.171 -1.648 0.715 1.00 20.00 HETATM 11 N12 65B 1017 -0.060 -1.316 0.174 1.00 20.00 HETATM 12 C11 65B 1017 -0.772 -2.145 -0.734 1.00 20.00 HETATM 13 N5 65B 1017 -1.998 -1.807 -1.276 1.00 20.00 HETATM 14 N16 65B 1017 -0.199 -3.357 -1.083 1.00 20.00 HETATM 15 C15 65B 1017 1.027 -3.741 -0.573 1.00 20.00 HETATM 16 N18 65B 1017 1.504 -4.916 -0.953 1.00 20.00 HETATM 17 C14 65B 1017 1.737 -2.880 0.337 1.00 20.00 HETATM 18 C21 65B 1017 -2.880 -0.805 -0.860 1.00 20.00 HETATM 19 C22 65B 1017 -2.847 0.662 -1.263 1.00 20.00 HETATM 20 C23 65B 1017 -3.828 1.604 -0.751 1.00 20.00 HETATM 21 C24 65B 1017 -4.839 1.086 0.156 1.00 20.00 HETATM 22 C25 65B 1017 -4.870 -0.302 0.530 1.00 20.00 HETATM 23 C26 65B 1017 -3.904 -1.229 0.026 1.00 20.00 HETATM 24 C27 65B 1017 -5.845 1.945 0.713 1.00 20.00 HETATM 25 N27 65B 1017 -6.669 2.620 1.201 1.00 20.00 HETATM 26 C4' 65B 1017 3.528 4.070 -1.049 1.00 20.00 HETATM 27 N4' 65B 1017 3.826 5.027 -1.626 1.00 20.00 HETATM 28 BR 65B 1017 3.346 -3.343 0.996 1.00 20.00 REMARK 65B ENDHET