-OEChem-07191013242D

 28 31  0     0  0  0  0  0  0999 V2000
    2.0000   -3.0190    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7232   -3.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9120   -2.6088    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0538   -0.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2448    0.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8629    0.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5538    1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5538    1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9609   -1.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2868    0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0127   -1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7192   -0.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646   -1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0192    2.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0885    2.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1700   -1.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7200   -1.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330    3.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5747    3.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    0.4036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2608    0.2132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951   -2.2478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3992    2.2802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7085    2.2802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026   -1.2516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2621   -1.3970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210    3.7292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8867    3.7292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  2  0  0  0  0
 10 20  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 21  1  0  0  0  0
 13 17  2  0  0  0  0
 13 22  1  0  0  0  0
 14 18  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
29281604

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
12885

> <PUBCHEM_XREF_EXT_ID>
12885

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.chemspider.com

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.12885.html

> <PUBCHEM_CID_ASSOCIATIONS>
13462  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$