-OEChem-09021010382D

 12 12  0     1  0  0  0  0  0999 V2000
   96.0000   59.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  113.0000   72.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   31.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   82.0000   72.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   87.0000   91.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   61.0000   67.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  108.0000   91.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.0000   48.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0000   43.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0000   25.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10518450

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
2398303641

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2-Dithiolane-3-pentanamide, (.+/-.)-
dl-6-Thioctic amide

> <PUBCHEM_XREF_EXT_ID>
2398303641

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C8H15NOS2/c9-8%2810%294-2-1-3-7-5-6-11-12-7/h7H%2C1-6H2%2C%28H2%2C9%2C10%29%0A

> <PUBCHEM_CID_ASSOCIATIONS>
863  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$