3RCF_BS4_A_1
  RCSB PDB12061710333D
Coordinates from PDB:3RCF:A:1 Model:1 without hydrogens
 19 20  0  0  0  0            999 V2000
    8.3290   20.5350   18.7700   N 0  0  0  0  0  0  0  0  0  0  0  0
    8.9960   26.2920   15.5840   O 0  0  0  0  0  0  0  0  0  0  0  0
    5.0640   24.5950   14.7060   O 0  0  0  0  0  0  0  0  0  0  0  0
    6.1450   26.2960   16.1900   O 0  0  0  0  0  0  0  0  0  0  0  0
   11.7480   25.7310   11.3660   C 0  0  0  0  0  0  0  0  0  0  0  0
   10.5850   24.9500   11.2420   C 0  0  0  0  0  0  0  0  0  0  0  0
   11.9320   26.5390   12.5030   C 0  0  0  0  0  0  0  0  0  0  0  0
    9.6060   24.9800   12.2500   C 0  0  0  0  0  0  0  0  0  0  0  0
   10.9550   26.5710   13.5150   C 0  0  0  0  0  0  0  0  0  0  0  0
    7.5930   21.3970   16.6070   C 0  0  0  0  0  0  0  0  0  0  0  0
    7.6770   22.8970   18.5610   C 0  0  0  0  0  0  0  0  0  0  0  0
    7.1300   22.4580   15.8190   C 0  0  0  0  0  0  0  0  0  0  0  0
    7.2190   23.9500   17.7580   C 0  0  0  0  0  0  0  0  0  0  0  0
    7.5440   25.1650   14.1690   N 0  0  0  0  0  0  0  0  0  0  0  0
    8.7570   25.8090   14.4900   C 0  0  0  0  0  0  0  0  0  0  0  0
    7.8710   21.6080   17.9860   C 0  0  0  0  0  0  0  0  0  0  0  0
    9.7750   25.8050   13.3880   C 0  0  0  0  0  0  0  0  0  0  0  0
    6.9380   23.7350   16.3910   C 0  0  0  0  0  0  0  0  0  0  0  0
    6.3620   25.0380   15.3620   S 0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 15  2  0  0  0  0
  3 19  2  0  0  0  0
  4 19  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 17  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
A    1
NAA
A    2
OAB
A    3
OAC
A    4
OAD
A    5
CAE
A    6
CAF
A    7
CAG
A    8
CAH
A    9
CAI
A   10
CAJ
A   11
CAK
A   12
CAL
A   13
CAM
A   14
NAN
A   15
CAO
A   16
CAP
A   17
CAQ
A   18
CAR
A   19
SAS
M  END
>  <InstanceId>
3RCF_BS4_A_1

>  <ChemCompId>
BS4

>  <PdbId>
3RCF

>  <ChainId>
A

>  <ResidueNumber>
1

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C13 N2 O3 S

>  <Name>
N-[(4-aminophenyl)sulfonyl]benzamide

>  <SystematicName>
N-(4-aminophenyl)sulfonylbenzamide

>  <Synonyms>


>  <Type>
NON-POLYMER

>  <Formula>
C13 H12 N2 O3 S

>  <MolecularWeight>
276.311

>  <ModifiedDate>
2012-03-16

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)

>  <InChIKey>
PBCZLFBEBARBBI-UHFFFAOYSA-N

>  <SMILES>
c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N

$$$$
