2VCE_TC7_A_1478
  RCSB PDB12061707043D
Coordinates from PDB:2VCE:A:1478 Model:1 without hydrogens
 10 10  0  0  0  0            999 V2000
   15.0430   26.6550   28.8460   C 0  0  0  0  0  0  0  0  0  0  0  0
   13.9210   27.4510   28.9400   C 0  0  0  0  0  0  0  0  0  0  0  0
   13.8870   28.6260   28.2130   C 0  0  0  0  0  0  0  0  0  0  0  0
   14.9890   28.9800   27.4160   C 0  0  0  0  0  0  0  0  0  0  0  0
   16.1250   28.2100   27.3380   C 0  0  0  0  0  0  0  0  0  0  0  0
   16.1130   27.0340   28.0730   C 0  0  0  0  0  0  0  0  0  0  0  0
   15.0900   30.4660   26.4710  Cl 0  0  0  0  0  0  0  0  0  0  0  0
   17.5780   26.0400   27.9330  Cl 0  0  0  0  0  0  0  0  0  0  0  0
   12.7700   29.3850   28.2970   O 0  0  0  0  0  0  0  0  0  0  0  0
   15.1090   25.1600   29.7970  Cl 0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  4  3  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  8  1  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
A    1
C1
A    2
C2
A    3
C3
A    4
C4
A    5
C5
A    6
C6
A    7
CL1
A    8
CL3
A    9
O1
A   10
CL5
M  END
>  <InstanceId>
2VCE_TC7_A_1478

>  <ChemCompId>
TC7

>  <PdbId>
2VCE

>  <ChainId>
A

>  <ResidueNumber>
1478

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C6 O Cl3

>  <Name>
2,4,5-trichlorophenol

>  <SystematicName>
2,4,5-trichlorophenol

>  <Synonyms>


>  <Type>
non-polymer

>  <Formula>
C6 H3 Cl3 O

>  <MolecularWeight>
197.446

>  <ModifiedDate>
2011-06-04

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>


>  <InChI>
InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H

>  <InChIKey>
LHJGJYXLEPZJPM-UHFFFAOYSA-N

>  <SMILES>
c1c(c(cc(c1Cl)Cl)Cl)O

$$$$