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       2.228   2.289   0.032  1.00 20.00           C+0
HETATM    2  C02 5SC   985       1.612   1.046  -0.051  1.00 20.00           C+0
HETATM    3  N03 5SC   985       0.261   1.276  -0.116  1.00 20.00           N+0
HETATM    4  N04 5SC   985       0.063   2.661  -0.072  1.00 20.00           N+0
HETATM    5  C05 5SC   985       1.231   3.254   0.022  1.00 20.00           C+0
HETATM    6  N06 5SC   985       2.095  -0.202  -0.075  1.00 20.00           N+0
HETATM    7  C07 5SC   985       1.283  -1.244  -0.161  1.00 20.00           C+0
HETATM    8  C08 5SC   985      -0.108  -1.051  -0.230  1.00 20.00           C+0
HETATM    9  C09 5SC   985      -0.609   0.219  -0.206  1.00 20.00           C+0
HETATM   10  N10 5SC   985      -1.969   0.436  -0.271  1.00 20.00           N+0
HETATM   11  C11 5SC   985       1.842  -2.616  -0.185  1.00 20.00           C+0
HETATM   12  C12 5SC   985      -2.889  -0.700  -0.368  1.00 20.00           C+0
HETATM   13  C13 5SC   985      -4.307  -0.195  -0.425  1.00 20.00           C+0
HETATM   14  C14 5SC   985      -5.029  -0.003   0.738  1.00 20.00           C+0
HETATM   15  N15 5SC   985      -6.270   0.444   0.696  1.00 20.00           N+1
HETATM   16  C16 5SC   985      -6.868   0.723  -0.447  1.00 20.00           C+0
HETATM   17  C17 5SC   985      -6.208   0.555  -1.650  1.00 20.00           C+0
HETATM   18  C18 5SC   985      -4.903   0.088  -1.645  1.00 20.00           C+0
HETATM   19  C19 5SC   985       1.579  -3.498   0.862  1.00 20.00           C+0
HETATM   20  C20 5SC   985       2.101  -4.775   0.834  1.00 20.00           C+0
HETATM   21  C21 5SC   985       2.884  -5.181  -0.232  1.00 20.00           C+0
HETATM   22  C22 5SC   985       3.148  -4.311  -1.274  1.00 20.00           C+0
HETATM   23  C23 5SC   985       2.627  -3.033  -1.260  1.00 20.00           C+0
HETATM   24 BR24 5SC   985       4.089   2.607   0.147  1.00 20.00          BR+0
HETATM   25  C25 5SC   985       0.726  -3.056   2.024  1.00 20.00           C+0
HETATM   26  O26 5SC   985      -6.978   0.627   1.908  1.00 20.00           O-1
REMARK 5SC ENDHET