COMPND WAI 4-(2-(4-(2-AMINOETHYL)PIPERAZIN-1-YL)PYRIDIN-4-YL)-N- (3-CHLORO-4-METHYLPHENYL)PYRIMIDIN-2-AMINE
REMARK WAI Part of HIC-Up: http://xray.bmc.uu.se/hicup
REMARK WAI Extracted from PDB file pdb1y2f.ent
REMARK WAI Formula C22 H26 CL N7
REMARK WAI Nr of non-hydrogen atoms  30
REMARK WAI Eigen-values covariance X/Y/Z      370.1     187.3       6.6
REMARK WAI Residue type WAI
REMARK WAI Residue name   7692
REMARK WAI Original residue name (for O) $300
REMARK WAI  RESOLUTION. 2.00 ANGSTROMS.
REMARK WAI occurs in        0 other PDB entries
REMARK WAI
HETATM    1  C1  WAI  7692      -2.135   0.063  -1.087  1.00 20.00           C+0
HETATM    2  C2  WAI  7692      -1.047   0.258  -1.937  1.00 20.00           C+0
HETATM    3  C3  WAI  7692      -1.281   0.609  -3.261  1.00 20.00           C+0
HETATM    4  N4  WAI  7692      -2.517   0.766  -3.710  1.00 20.00           N+0
HETATM    5  C5  WAI  7692      -3.569   0.594  -2.932  1.00 20.00           C+0
HETATM    6  C6  WAI  7692      -3.422   0.240  -1.607  1.00 20.00           C+0
HETATM    7  C7  WAI  7692      -1.933  -0.317   0.332  1.00 20.00           C+0
HETATM    8  C8  WAI  7692      -2.773  -1.251   0.942  1.00 20.00           C+0
HETATM    9  C9  WAI  7692      -2.546  -1.574   2.269  1.00 20.00           C+0
HETATM   10  N10 WAI  7692      -1.549  -0.994   2.915  1.00 20.00           N+0
HETATM   11  C11 WAI  7692      -0.767  -0.110   2.311  1.00 20.00           C+0
HETATM   12  N12 WAI  7692      -0.952   0.230   1.046  1.00 20.00           N+0
HETATM   13  N13 WAI  7692       0.265   0.475   3.024  1.00 20.00           N+0
HETATM   14  C14 WAI  7692       0.546   0.049   4.325  1.00 20.00           C+0
HETATM   15  C15 WAI  7692       1.008   0.956   5.270  1.00 20.00           C+0
HETATM   16  C16 WAI  7692       1.279   0.533   6.557  1.00 20.00           C+0
HETATM   17  C17 WAI  7692       1.101  -0.795   6.902  1.00 20.00           C+0
HETATM   18  C18 WAI  7692       0.641  -1.700   5.963  1.00 20.00           C+0
HETATM   19  C19 WAI  7692       0.364  -1.282   4.676  1.00 20.00           C+0
HETATM   20  C20 WAI  7692       1.403  -1.255   8.305  1.00 20.00           C+0
HETATM   21 CL24 WAI  7692       1.856   1.665   7.740  1.00 20.00          CL+0
HETATM   22  N34 WAI  7692      -0.207   0.803  -4.122  1.00 20.00           N+0
HETATM   23  C35 WAI  7692       0.442  -0.502  -4.286  1.00 20.00           C+0
HETATM   24  C36 WAI  7692       1.563  -0.392  -5.320  1.00 20.00           C+0
HETATM   25  N37 WAI  7692       0.997  -0.031  -6.625  1.00 20.00           N+0
HETATM   26  C38 WAI  7692       0.348   1.275  -6.461  1.00 20.00           C+0
HETATM   27  C39 WAI  7692      -0.773   1.165  -5.427  1.00 20.00           C+0
HETATM   28  C48 WAI  7692       2.132   0.173  -7.535  1.00 20.00           C+0
HETATM   29  C49 WAI  7692       2.859  -1.155  -7.752  1.00 20.00           C+0
HETATM   30  N52 WAI  7692       3.994  -0.951  -8.661  1.00 20.00           N+0
REMARK WAI ENDHET