-OEChem-01131113492D

 20 19  0     0  0  0  0  0  0999 V2000
   15.9655   -1.1465    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.2982   -2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9634   -2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2961   -3.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1121   -1.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8019   -0.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9784   -3.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3111   -4.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9763   -4.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3090   -5.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9742   -5.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3068   -6.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9892   -6.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3218   -8.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9871   -8.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3197   -9.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0021   -9.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3347  -10.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -10.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
37916646

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
13888082

> <PUBCHEM_XREF_EXT_ID>
13888082

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.13888082.html

> <PUBCHEM_CID_ASSOCIATIONS>
2681  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$