-OEChem-11021115562D

 21 20  0     1  0  0  0  0  0999 V2000
   -0.9480   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0914   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9480   -0.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6625   -1.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2336   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4809   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1954   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9099   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6243   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3388   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0533   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7677   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4822   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1967   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9112   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6256   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3401   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0546   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7690   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  6  0  0  0
  2  7  1  0  0  0  0
  5  3  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  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
 20 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
104098364

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
BindingDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
50240585

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:16393

> <PUBCHEM_XREF_EXT_ID>
50240585

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.bindingDB.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240585

> <PUBCHEM_CID_ASSOCIATIONS>
5280335  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
4  1  6
5  3  5

$$$$