-OEChem-01131113502D

 20 20  0     0  0  0  0  0  0999 V2000
    2.6604    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.6068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -4.6068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924   -5.7585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604   -9.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924   -3.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6680   -3.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604   -4.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6680   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604   -6.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924   -8.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6680   -5.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924  -10.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -9.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604  -11.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6528   -8.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5 12  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
36520046

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
13853004

> <PUBCHEM_XREF_EXT_ID>
13853004

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.13853004.html

> <PUBCHEM_CID_ASSOCIATIONS>
4168  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$