-OEChem-04131210272D

 31 32  0     1  0  0  0  0  0999 V2000
    2.8660   -0.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423    2.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.9615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673    0.0604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.8047    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9939   -1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7004    1.2182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1072    0.6859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5069    0.2154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139   -1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -2.5508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.9667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9740    0.1883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1747   -0.5289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1813    2.5508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.1937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 17  1  0  0  0  0
  2 16  1  0  0  0  0
  2 28  1  0  0  0  0
  3 16  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 25  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
29300618

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
106971

> <PUBCHEM_XREF_EXT_ID>
106971

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.106971.html

> <PUBCHEM_CID_ASSOCIATIONS>
119802  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
10  5  3

$$$$