-OEChem-03101014062D

 14 14  0     1  0  0  0  0  0999 V2000
   29.0000   51.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.0000   23.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.0000  -22.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -52.0000   23.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -36.0000   -5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   23.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -20.0000   23.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   33.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0000   33.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0000   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10362881

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
3272894729

> <PUBCHEM_SUBSTANCE_SYNONYM>
N-Acetyl-dl-histidine
N-Acetylhistidine

> <PUBCHEM_XREF_EXT_ID>
3272894729

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

> <PUBCHEM_CID_ASSOCIATIONS>
273260  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$