4EPT_0QW_A_203
  RCSB PDB12061712253D
Coordinates from PDB:4EPT:A:203 Model:1 without hydrogens
 14 15  0  0  0  0            999 V2000
   23.3310   40.1990   12.7890   C 0  0  0  0  0  0  0  0  0  0  0  0
   23.4820   38.9360   13.7000   C 0  0  0  0  0  0  0  0  0  0  0  0
   24.9310   38.9900   14.2070   C 0  0  0  0  0  0  0  0  0  0  0  0
   25.3610   40.4620   14.1260   C 0  0  0  0  0  0  0  0  0  0  0  0
   24.3530   41.1690   13.2800   N 0  0  0  0  0  0  0  0  0  0  0  0
   24.2990   42.5040   13.0590   C 0  0  0  0  0  0  0  0  0  0  0  0
   23.0100   43.2100   12.0740   S 0  0  0  0  0  0  0  0  0  0  0  0
   25.2300   43.3840   13.6900   C 0  0  0  0  0  0  0  0  0  0  0  0
   26.1960   44.0530   12.9430   C 0  0  0  0  0  0  0  0  0  0  0  0
   27.0800   44.9720   13.5160   C 0  0  0  0  0  0  0  0  0  0  0  0
   26.9950   45.2180   14.8900   C 0  0  0  0  0  0  0  0  0  0  0  0
   26.0130   44.5640   15.6870   C 0  0  0  0  0  0  0  0  0  0  0  0
   25.1260   43.6360   15.0640   C 0  0  0  0  0  0  0  0  0  0  0  0
   24.1670   42.9420   15.8230   O 0  0  0  0  0  0  0  0  0  0  0  0
  7  6  2  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  9 10  2  0  0  0  0
  9  8  1  0  0  0  0
  6  5  1  0  0  0  0
  6  8  1  0  0  0  0
  5  4  1  0  0  0  0
 10 11  1  0  0  0  0
  8 13  2  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
 11 12  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
A    1
C8
A    2
C9
A    3
C10
A    4
C11
A    5
N1
A    6
C7
A    7
S1
A    8
C6
A    9
C5
A   10
C4
A   11
C3
A   12
C2
A   13
C1
A   14
O1
M  END
>  <InstanceId>
4EPT_0QW_A_203

>  <ChemCompId>
0QW

>  <PdbId>
4EPT

>  <ChainId>
A

>  <ResidueNumber>
203

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C11 N O S

>  <Name>
(2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione

>  <SystematicName>
(2-hydroxyphenyl)-pyrrolidin-1-yl-methanethione

>  <Synonyms>


>  <Type>
NON-POLYMER

>  <Formula>
C11 H13 N O S

>  <MolecularWeight>
207.292

>  <ModifiedDate>
2012-05-18

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C11H13NOS/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2

>  <InChIKey>
QIKLOVZAPGSYNO-UHFFFAOYSA-N

>  <SMILES>
c1ccc(c(c1)C(=S)N2CCCC2)O

$$$$
