5AQQ_BBW_A_1382
  RCSB PDB12061716523D
Coordinates from PDB:5AQQ:A:1382 Model:1 without hydrogens
 12 13  0  0  0  0            999 V2000
  381.0830   -8.7860  148.8250   N 0  0  0  0  0  0  0  0  0  0  0  0
  380.5150   -9.2490  147.7000   C 0  0  0  0  0  0  0  0  0  0  0  0
  380.5320  -10.6600  147.3810   C 0  0  0  0  0  0  0  0  0  0  0  0
  381.1170  -11.7050  148.1330   C 0  0  0  0  0  0  0  0  0  0  0  0
  379.9160   -8.3480  146.8770   N 0  0  0  0  0  0  0  0  0  0  0  0
  379.3480   -8.8320  145.7710   C 0  0  0  0  0  0  0  0  0  0  0  0
  379.2810  -10.0780  145.3590   N 0  0  0  0  0  0  0  0  0  0  0  0
  379.8780  -11.0030  146.1720   C 0  0  0  0  0  0  0  0  0  0  0  0
  379.8330  -12.3580  145.7760   C 0  0  0  0  0  0  0  0  0  0  0  0
  380.4100  -13.3520  146.5270   C 0  0  0  0  0  0  0  0  0  0  0  0
  380.3550  -14.7920  146.0860   C 0  0  0  0  0  0  0  0  0  0  0  0
  381.0510  -12.9980  147.7080   C 0  0  0  0  0  0  0  0  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  6  5  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
  8  3  1  0  0  0  0
 10 12  2  0  0  0  0
  5  2  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  2  0  0  0  0
  2  1  1  0  0  0  0
 12  4  1  0  0  0  0
A    1
N1
A    2
C1
A    3
C2
A    4
C3
A    5
N2
A    6
C4
A    7
N3
A    8
C5
A    9
C6
A   10
C7
A   11
C8
A   12
C9
M  END
>  <InstanceId>
5AQQ_BBW_A_1382

>  <ChemCompId>
BBW

>  <PdbId>
5AQQ

>  <ChainId>
A

>  <ResidueNumber>
1382

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C9 N3

>  <Name>
7-methylquinazolin-4-amine

>  <SystematicName>
7-methylquinazolin-4-amine

>  <Synonyms>


>  <Type>
NON-POLYMER

>  <Formula>
C9 H9 N3

>  <MolecularWeight>
159.188

>  <ModifiedDate>
2016-09-30

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C9H9N3/c1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3,(H2,10,11,12)

>  <InChIKey>
PTMKZYCUJHQJBN-UHFFFAOYSA-N

>  <SMILES>
Cc1ccc2c(c1)ncnc2N

$$$$
