-OEChem-01131113472D

 10  9  0     0  0  0  0  0  0999 V2000
    1.9957   -4.6059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -6.9054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3258   -1.1532    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9957   -2.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3258   -3.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3258   -5.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4790   -0.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1795   -1.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  1  0  0  0  0
M  CHG  1   3   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
36538549

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
13871862

> <PUBCHEM_XREF_EXT_ID>
13871862

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.chemspider.com

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.13871862.html

> <PUBCHEM_CID_ASSOCIATIONS>
187  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$