COMPND BWP (2S)-1-(4-((4-ANILINO-5-BROMOPYRIMIDIN-2-YL) AMINO)PHENOXY)-3-(DIMETHYLAMINO)PROPAN-2-OL
REMARK BWP Part of HIC-Up: http://xray.bmc.uu.se/hicup
REMARK BWP Extracted from PDB file pdb1h08.ent
REMARK BWP Formula C21 H24 BR N5 O2
REMARK BWP Nr of non-hydrogen atoms  29
REMARK BWP Eigen-values covariance X/Y/Z      474.9     152.6      14.0
REMARK BWP Residue type BWP
REMARK BWP Residue name   2200
REMARK BWP Original residue name (for O) $A300
REMARK BWP  RESOLUTION. 1.80 ANGSTROMS.
REMARK BWP occurs in        0 other PDB entries
REMARK BWP
HETATM    1  C22 BWP  2200      -3.976  -0.381  -1.055  1.00 20.00      
HETATM    2  N1  BWP  2200       4.299  -2.702   0.508  1.00 20.00      
HETATM    3  C2  BWP  2200       5.434  -1.961   0.516  1.00 20.00      
HETATM    4  C6  BWP  2200       3.139  -2.056   0.307  1.00 20.00      
HETATM    5  C4  BWP  2200       4.111   0.035   0.124  1.00 20.00      
HETATM    6  C3  BWP  2200       5.394  -0.540   0.324  1.00 20.00      
HETATM    7  N5  BWP  2200       3.024  -0.738   0.127  1.00 20.00      
HETATM    8  C11 BWP  2200       0.835   4.347  -0.608  1.00 20.00      
HETATM    9  C10 BWP  2200       2.009   4.681   0.114  1.00 20.00      
HETATM   10  C9  BWP  2200       3.040   3.717   0.278  1.00 20.00      
HETATM   11  C8  BWP  2200       2.907   2.410  -0.280  1.00 20.00      
HETATM   12  C12 BWP  2200       0.685   3.051  -1.168  1.00 20.00      
HETATM   13  C17 BWP  2200      -1.772  -3.312  -0.411  1.00 20.00      
HETATM   14  C16 BWP  2200      -0.397  -3.612  -0.217  1.00 20.00      
HETATM   15  C13 BWP  2200       1.715   2.085  -1.006  1.00 20.00      
HETATM   16  C15 BWP  2200       0.514  -2.573   0.103  1.00 20.00      
HETATM   17  C18 BWP  2200      -2.247  -1.961  -0.288  1.00 20.00      
HETATM   18  C19 BWP  2200      -1.325  -0.921   0.036  1.00 20.00      
HETATM   19  C20 BWP  2200       0.041  -1.223   0.230  1.00 20.00      
HETATM   20  O21 BWP  2200      -3.629  -1.697  -0.484  1.00 20.00      
HETATM   21  N7  BWP  2200       4.003   1.475  -0.064  1.00 20.00      
HETATM   22  N14 BWP  2200       1.937  -2.867   0.295  1.00 20.00      
HETATM   23 BR   BWP  2200       6.991   0.511   0.334  1.00 20.00      
HETATM   24  C23 BWP  2200      -5.480  -0.066  -0.819  1.00 20.00      
HETATM   25  C24 BWP  2200      -5.805  -0.022   0.720  1.00 20.00      
HETATM   26  N25 BWP  2200      -6.162   1.320   1.357  1.00 20.00      
HETATM   27  C26 BWP  2200      -5.416   2.524   0.882  1.00 20.00      
HETATM   28  C27 BWP  2200      -7.615   1.567   1.585  1.00 20.00      
HETATM   29  O28 BWP  2200      -6.252  -1.090  -1.440  1.00 20.00      
REMARK BWP ENDHET