-OEChem-03101014062D

 14 14  0     1  0  0  0  0  0999 V2000
    8.0000   60.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -26.0000   59.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0000   20.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   19.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -42.0000  -12.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0000  -31.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   29.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -26.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.0000   19.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   50.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0000  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000   30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -36.0000  -31.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000   49.0000    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>
10363115

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
3582068990

> <PUBCHEM_SUBSTANCE_SYNONYM>
Histidine, N-acetyl-, l-
l-Histidine, N-acetyl-

> <PUBCHEM_XREF_EXT_ID>
3582068990

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

> <PUBCHEM_CID_ASSOCIATIONS>
273260  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$