-OEChem-03311014132D

 10  9  0     0  0  0  0  0  0999 V2000
   79.0000   50.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   80.0000   17.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   17.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.0000   33.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.0000   33.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0000   33.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0000   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.0000   53.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.0000   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10528922

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
3976863353

> <PUBCHEM_SUBSTANCE_SYNONYM>
2,2-Dimethylbutanedioic acid
2,2-Dimethylsuccinic acid

> <PUBCHEM_XREF_EXT_ID>
3976863353

> <PUBCHEM_EXT_DATASOURCE_URL>
http://webbook.nist.gov/chemistry/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C6H10O4/c1-6%282%2C5%289%2910%293-4%287%298/h3H2%2C1-2H3%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%0A

> <PUBCHEM_CID_ASSOCIATIONS>
11701  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$