-OEChem-04131210272D

 17 18  0     1  0  0  0  0  0999 V2000
  -52.0000    8.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   70.0000   51.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0000   62.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0000  -28.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   59.0000   13.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -22.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0000    8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0000  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0000   24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0000  -32.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.0000  -22.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.0000   28.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   51.0000   47.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -69.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2 16  2  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10425804

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
2626330816

> <PUBCHEM_SUBSTANCE_SYNONYM>
DL-Tryptophan, 5-methoxy-
dl-5-Methoxy tryptophan

> <PUBCHEM_XREF_EXT_ID>
2626330816

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

> <PUBCHEM_CID_ASSOCIATIONS>
119802  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$