3G4U_0CL_A_151
  RCSB PDB12061708413D
Coordinates from PDB:3G4U:A:151 Model:1 without hydrogens
  5  4  0  0  0  0            999 V2000
   37.2790   -0.4540   35.3780  Cl 0  0  0  0  0  0  0  0  0  0  0  0
   38.7150   -0.6480   34.3150   C 0  0  0  0  0  0  0  0  0  0  0  0
   38.3880   -0.1120   32.9240   C 0  0  0  0  0  0  0  0  0  0  0  0
   39.6420   -0.2780   32.0430   C 0  0  0  0  0  0  0  0  0  0  0  0
   40.5880    1.2510   32.1160  Cl 0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
A    1
CL1
A    2
C2
A    3
C3
A    4
C4
A    5
CL5
M  END
>  <InstanceId>
3G4U_0CL_A_151

>  <ChemCompId>
0CL

>  <PdbId>
3G4U

>  <ChainId>
A

>  <ResidueNumber>
151

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C3 Cl2

>  <Name>
1,3-dichloropropane

>  <SystematicName>
1,3-dichloropropane

>  <Synonyms>


>  <Type>
NON-POLYMER

>  <Formula>
C3 H6 Cl2

>  <MolecularWeight>
112.986

>  <ModifiedDate>
2011-06-04

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2

>  <InChIKey>
YHRUOJUYPBUZOS-UHFFFAOYSA-N

>  <SMILES>
C(CCl)CCl

$$$$
