-OEChem-03261012002D

 10 10  0     1  0  0  0  0  0999 V2000
   29.0000   34.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   34.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   39.0000   52.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0000   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   59.0000   52.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   60.0000   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0000   34.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   52.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10528078

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
2223771937

> <PUBCHEM_SUBSTANCE_SYNONYM>
Benzene, (1-methylpropyl)-, (S)-

> <PUBCHEM_XREF_EXT_ID>
2223771937

> <PUBCHEM_EXT_DATASOURCE_URL>
http://webbook.nist.gov/chemistry/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?ID=C5787280

> <PUBCHEM_CID_ASSOCIATIONS>
8680  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$