COMPND LI8 N-(3-((5-BROMO-2-((3-((PYRROLIDIN-1-YLCARBONYL) AMINO)PHENYL)AMINO)PYRIMIDIN-4-YL)AMINO)PROPYL)-2,2- DIMETHYLMALONAMIDE REMARK LI8 Part of HIC-Up: http://xray.bmc.uu.se/hicup REMARK LI8 Extracted from PDB file pdb1z5m.ent REMARK LI8 Formula C23 H31 BR N8 O3 REMARK LI8 Nr of non-hydrogen atoms 35 REMARK LI8 Eigen-values covariance X/Y/Z 450.8 312.4 22.8 REMARK LI8 Residue type LI8 REMARK LI8 Residue name 4870 REMARK LI8 Original residue name (for O) $501 REMARK LI8 RESOLUTION. 2.17 ANGSTROMS. REMARK LI8 occurs in 0 other PDB entries REMARK LI8 HETATM 1 C1 LI8 4870 0.173 3.289 0.322 1.00 20.00 C+0 HETATM 2 C2 LI8 4870 0.696 2.026 0.034 1.00 20.00 C+0 HETATM 3 N3 LI8 4870 -0.126 1.066 -0.376 1.00 20.00 N+0 HETATM 4 C4 LI8 4870 -1.422 1.301 -0.515 1.00 20.00 C+0 HETATM 5 N5 LI8 4870 -1.945 2.490 -0.254 1.00 20.00 N+0 HETATM 6 C6 LI8 4870 -1.184 3.493 0.159 1.00 20.00 C+0 HETATM 7 BR7 LI8 4870 1.298 4.691 0.910 1.00 20.00 BR+0 HETATM 8 N8 LI8 4870 -2.252 0.278 -0.944 1.00 20.00 N+0 HETATM 9 C10 LI8 4870 -3.600 0.537 -1.214 1.00 20.00 C+0 HETATM 10 C11 LI8 4870 -4.570 -0.386 -0.852 1.00 20.00 C+0 HETATM 11 C12 LI8 4870 -5.907 -0.122 -1.116 1.00 20.00 C+0 HETATM 12 C13 LI8 4870 -6.268 1.059 -1.751 1.00 20.00 C+0 HETATM 13 C14 LI8 4870 -5.298 1.974 -2.116 1.00 20.00 C+0 HETATM 14 C15 LI8 4870 -3.967 1.717 -1.849 1.00 20.00 C+0 HETATM 15 N16 LI8 4870 -6.889 -1.048 -0.747 1.00 20.00 N+0 HETATM 16 C18 LI8 4870 -6.765 -1.741 0.402 1.00 20.00 C+0 HETATM 17 O19 LI8 4870 -5.839 -1.509 1.154 1.00 20.00 O+0 HETATM 18 N20 LI8 4870 -7.669 -2.690 0.718 1.00 20.00 N+0 HETATM 19 C21 LI8 4870 -7.654 -3.517 1.933 1.00 20.00 C+0 HETATM 20 C22 LI8 4870 -8.860 -4.475 1.850 1.00 20.00 C+0 HETATM 21 C23 LI8 4870 -9.162 -4.523 0.329 1.00 20.00 C+0 HETATM 22 C24 LI8 4870 -8.839 -3.067 -0.096 1.00 20.00 C+0 HETATM 23 N25 LI8 4870 2.051 1.777 0.178 1.00 20.00 N+0 HETATM 24 C27 LI8 4870 2.588 0.447 -0.122 1.00 20.00 C+0 HETATM 25 C28 LI8 4870 4.099 0.441 0.118 1.00 20.00 C+0 HETATM 26 N29 LI8 4870 6.106 -0.954 0.034 1.00 20.00 N+0 HETATM 27 C31 LI8 4870 6.817 -2.079 -0.179 1.00 20.00 C+0 HETATM 28 O32 LI8 4870 6.259 -3.086 -0.560 1.00 20.00 O+0 HETATM 29 C33 LI8 4870 4.659 -0.948 -0.196 1.00 20.00 C+0 HETATM 30 C34 LI8 4870 8.305 -2.086 0.057 1.00 20.00 C+0 HETATM 31 C35 LI8 4870 8.591 -1.738 1.519 1.00 20.00 C+0 HETATM 32 C36 LI8 4870 8.970 -1.051 -0.852 1.00 20.00 C+0 HETATM 33 C37 LI8 4870 8.857 -3.454 -0.252 1.00 20.00 C+0 HETATM 34 O38 LI8 4870 8.115 -4.337 -0.626 1.00 20.00 O+0 HETATM 35 N39 LI8 4870 10.175 -3.696 -0.111 1.00 20.00 N+0 REMARK LI8 ENDHET