-OEChem-02281210082D

 11 11  0     0  0  0  0  0  0999 V2000
  -26.0000  -20.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000  -40.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0000   70.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000  -20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0000  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   40.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0000   50.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10400166

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
366576687

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2-Benzenediol, 4-(2-aminoethyl)-
Dopamine

> <PUBCHEM_XREF_EXT_ID>
366576687

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nist.gov/srd/nist1a.htm

> <PUBCHEM_CID_ASSOCIATIONS>
681  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$