2PW0_TRC_A_2001
  RCSB PDB12061706413D
Coordinates from PDB:2PW0:A:2001 Model:1 without hydrogens
 12 11  0  0  0  0            999 V2000
   31.2890  -10.3080    1.7370   C 0  0  0  0  0  0  0  0  0  0  0  0
   30.6890   -9.1980    1.7070   O 0  0  0  0  0  0  0  0  0  0  0  0
   30.7920  -11.3860    1.3250   O 0  0  0  0  0  0  0  0  0  0  0  0
   32.5790  -10.3250    2.2930   C 0  0  0  0  0  0  0  0  0  0  0  0
   33.6110  -11.2530    2.0300   C 0  0  0  0  0  0  0  0  0  0  0  0
   33.5250  -12.4180    1.0260   C 0  0  0  0  0  0  0  0  0  0  0  0
   34.7730  -12.4650    0.1200   C 0  0  0  0  0  0  0  0  0  0  0  0
   34.8900  -13.4760   -0.5970   O 0  0  0  0  0  0  0  0  0  0  0  0
   35.5810  -11.5060    0.1720   O 0  0  0  0  0  0  0  0  0  0  0  0
   34.9320  -11.0920    2.7690   C 0  0  0  0  0  0  0  0  0  0  0  0
   35.4470  -12.1260    3.2280   O 0  0  0  0  0  0  0  0  0  0  0  0
   35.4100   -9.9470    2.8540   O 0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
A    1
C1
A    2
O1
A    3
O2
A    4
C2
A    5
C3
A    6
C4
A    7
C5
A    8
O3
A    9
O4
A   10
C6
A   11
O5
A   12
O6
M  END
>  <InstanceId>
2PW0_TRC_A_2001

>  <ChemCompId>
TRC

>  <PdbId>
2PW0

>  <ChainId>
A

>  <ResidueNumber>
2001

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C6 O6

>  <Name>
TRICARBALLYLIC ACID

>  <SystematicName>
propane-1,2,3-tricarboxylic acid

>  <Synonyms>


>  <Type>
NON-POLYMER

>  <Formula>
C6 H8 O6

>  <MolecularWeight>
176.124

>  <ModifiedDate>
2011-06-04

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

>  <InChIKey>
KQTIIICEAUMSDG-UHFFFAOYSA-N

>  <SMILES>
C(C(CC(=O)O)C(=O)O)C(=O)O

$$$$
