-OEChem-08271216092D

 27 29  0     0  0  0  0  0  0999 V2000
    2.0000   -0.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047    0.8518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321   -0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0047   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6897   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7102   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3291    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6957    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6271    1.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2992   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1597   -1.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9160   -2.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7286   -1.8828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3239   -1.3509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047    1.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6380   -0.1412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181   -2.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955    1.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8119    2.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0353    1.6356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2190    1.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861   -1.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
39379701

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
4510170

> <PUBCHEM_XREF_EXT_ID>
4510170

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.4510170.html

> <PUBCHEM_CID_ASSOCIATIONS>
5353656  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$