-OEChem-03131213512D

 38 35  0     1  0  0  0  0  0999 V2000
    9.9651    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.0369    3.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.0369    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.9651    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0369    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3671    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    6.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7690    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8437    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4451    3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7565    3.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1550    2.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9776    4.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5791    5.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3796    5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9810    4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9040    6.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 21  1  0  0  0  0
  3 38  1  0  0  0  0
  4 20  1  0  0  0  0
  5 20  2  0  0  0  0
  6 21  2  0  0  0  0
  7 22  1  0  0  0  0
  8 22  2  0  0  0  0
 17  9  1  1  0  0  0
  9 19  1  0  0  0  0
  9 33  1  0  0  0  0
 10 16  1  0  0  0  0
 10 19  2  0  0  0  0
 15 11  1  1  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 19  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  CHG  4   1   1   2   1   4  -1   7  -1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
40722119

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
17346288

> <PUBCHEM_XREF_EXT_ID>
17346288

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.17346288.html

> <PUBCHEM_CID_ASSOCIATIONS>
16218930  1
16950  2
5360545  2

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
15  11  5
17  9  5

$$$$