3ESN_DZ1_A_128
  RCSB PDB12061708303D
Coordinates from PDB:3ESN:A:128 Model:1 without hydrogens
 20 21  0  0  0  0            999 V2000
    0.4700   -2.5620   -9.4640   C 0  0  0  0  0  0  0  0  0  0  0  0
    0.1650   -1.1190   -9.9980   C 0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960   -1.0080  -11.3190   C 0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860    0.2180  -11.9230   C 0  0  0  0  0  0  0  0  0  0  0  0
   -0.3840    1.3820  -11.1760   C 0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030    1.3260   -9.8340   C 0  0  0  0  0  0  0  0  0  0  0  0
    0.1100    2.6140   -8.9680   C 0  0  0  0  0  0  0  0  0  0  0  0
    0.2600    0.0830   -9.2600   C 0  0  0  0  0  0  0  0  0  0  0  0
    0.7070    0.0860   -7.8140   C 0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.0350   -7.5890   O 0  0  0  0  0  0  0  0  0  0  0  0
   -0.2540    0.1320   -6.8960   N 0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980    0.0670   -5.5640   C 0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    0.8030   -4.8120   C 0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.7570   -3.4440   C 0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    1.8280   -2.5170  Br 0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -0.0140   -2.7740   C 0  0  0  0  0  0  0  0  0  0  0  0
    0.0670   -0.0320   -1.4200   O 0  0  0  0  0  0  0  0  0  0  0  0
    0.8850   -0.7630   -3.5360   C 0  0  0  0  0  0  0  0  0  0  0  0
    2.1580   -1.8370   -2.6110  Br 0  0  0  0  0  0  0  0  0  0  0  0
    0.8190   -0.7500   -4.9330   C 0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
A    1
CAA
A    2
CAN
A    3
CAH
A    4
CAG
A    5
CAI
A    6
CAO
A    7
CAB
A    8
CAT
A    9
CAM
A   10
OAC
A   11
NAL
A   12
CAR
A   13
CAJ
A   14
CAP
A   15
BRAE
A   16
CAS
A   17
OAD
A   18
CAQ
A   19
BRAF
A   20
CAK
M  END
>  <InstanceId>
3ESN_DZ1_A_128

>  <ChemCompId>
DZ1

>  <PdbId>
3ESN

>  <ChainId>
A

>  <ResidueNumber>
128

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C15 N O2 Br2

>  <Name>
N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide

>  <SystematicName>
N-(3,5-dibromo-4-hydroxy-phenyl)-2,6-dimethyl-benzamide

>  <Synonyms>


>  <Type>
NON-POLYMER

>  <Formula>
C15 H13 Br2 N O2

>  <MolecularWeight>
399.077

>  <ModifiedDate>
2011-06-04

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C15H13Br2NO2/c1-8-4-3-5-9(2)13(8)15(20)18-10-6-11(16)14(19)12(17)7-10/h3-7,19H,1-2H3,(H,18,20)

>  <InChIKey>
IFECSMFQARKPSU-UHFFFAOYSA-N

>  <SMILES>
Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C

$$$$
