-OEChem-05191010082D

  8  8  0     0  0  0  0  0  0999 V2000
   10.4036   -6.8357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9911   -5.5661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2534   -6.3086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0710   -6.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8161   -5.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7361   -6.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8556   -6.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4687   -6.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
49846368

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
BindingDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
22554

> <PUBCHEM_SUBSTANCE_SYNONYM>
[3H]histamine

> <PUBCHEM_XREF_EXT_ID>
22554

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22554

> <PUBCHEM_CID_ASSOCIATIONS>
774  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$