3NSQ_CHZ_B_1
  RCSB PDB12061709573D
Coordinates from PDB:3NSQ:B:1 Model:1 without hydrogens
 18 20  0  0  0  0            999 V2000
   52.7090  -16.0920    6.9920   O 0  0  0  0  0  0  0  0  0  0  0  0
   53.5360  -16.4780    7.8160   C 0  0  0  0  0  0  0  0  0  0  0  0
   54.4960  -17.4180    7.4590   C 0  0  0  0  0  0  0  0  0  0  0  0
   54.5290  -17.9290    6.1670   C 0  0  0  0  0  0  0  0  0  0  0  0
   55.4900  -18.8710    5.8160   C 0  0  0  0  0  0  0  0  0  0  0  0
   56.4200  -19.3000    6.7550   C 0  0  0  0  0  0  0  0  0  0  0  0
   56.3840  -18.7840    8.0450   C 0  0  0  0  0  0  0  0  0  0  0  0
   57.2860  -19.1940    8.9700   O 0  0  0  0  0  0  0  0  0  0  0  0
   55.4260  -17.8460    8.3970   C 0  0  0  0  0  0  0  0  0  0  0  0
   55.4010  -17.3390    9.6910   C 0  0  0  0  0  0  0  0  0  0  0  0
   56.2260  -17.7200   10.5220   O 0  0  0  0  0  0  0  0  0  0  0  0
   54.4400  -16.3990   10.0450   C 0  0  0  0  0  0  0  0  0  0  0  0
   53.5100  -15.9690    9.1070   C 0  0  0  0  0  0  0  0  0  0  0  0
   52.5480  -15.0310    9.4560   C 0  0  0  0  0  0  0  0  0  0  0  0
   52.5200  -14.5230   10.7460   C 0  0  0  0  0  0  0  0  0  0  0  0
   53.4500  -14.9500   11.6860   C 0  0  0  0  0  0  0  0  0  0  0  0
   54.4120  -15.8890   11.3360   C 0  0  0  0  0  0  0  0  0  0  0  0
   55.3250  -16.3080   12.2540   O 0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
A    1
OAA
A    2
CAM
A    3
CAO
A    4
CAI
A    5
CAE
A    6
CAG
A    7
CAK
A    8
OAC
A    9
CAQ
A   10
CAN
A   11
OAB
A   12
CAR
A   13
CAP
A   14
CAJ
A   15
CAF
A   16
CAH
A   17
CAL
A   18
OAD
M  END
>  <InstanceId>
3NSQ_CHZ_B_1

>  <ChemCompId>
CHZ

>  <PdbId>
3NSQ

>  <ChainId>
B

>  <ResidueNumber>
1

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C14 O4

>  <Name>
1,8-dihydroxyanthracene-9,10-dione

>  <SystematicName>
1,8-dihydroxyanthracene-9,10-dione

>  <Synonyms>
Chrysazin

>  <Type>
NON-POLYMER

>  <Formula>
C14 H8 O4

>  <MolecularWeight>
240.211

>  <ModifiedDate>
2011-06-04

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H

>  <InChIKey>
QBPFLULOKWLNNW-UHFFFAOYSA-N

>  <SMILES>
c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O

$$$$
