-OEChem-07011108352D

 28 31  0     0  0  0  0  0  0999 V2000
    8.8000   -0.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250    2.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000    2.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750    3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7958    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6958    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7333    1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4458    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375    0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7958    0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4583    2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542    3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4458   -1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6875    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1 16  1  0  0  0  0
  1 26  1  0  0  0  0
  4 25  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7 22  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 21  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 21 22  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
14927833

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
Thomson Pharma

> <PUBCHEM_EXT_DATASOURCE_REGID>
00024375

> <PUBCHEM_XREF_EXT_ID>
00024375

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.thomson-pharma.com/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.thomson-pharma.com/report/chemistry?ch=TS00024375

> <PUBCHEM_CID_ASSOCIATIONS>
9832687  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$