-OEChem-03131213512D

 38 37  0     1  0  0  0  0  0999 V2000
    8.5991   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.8450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437   -0.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451   -0.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565   -0.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550   -0.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    1.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    0.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    1.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    0.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 36  1  0  0  0  0
  2 18  2  0  0  0  0
  3 19  1  0  0  0  0
  3 37  1  0  0  0  0
  4 19  2  0  0  0  0
  5 20  1  0  0  0  0
  5 38  1  0  0  0  0
  6 20  2  0  0  0  0
 15  7  1  1  0  0  0
  7 17  1  0  0  0  0
  7 31  1  0  0  0  0
  8 14  1  0  0  0  0
  8 17  2  0  0  0  0
 13  9  1  1  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 17  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 20  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
29284752

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemSpider

> <PUBCHEM_EXT_DATASOURCE_REGID>
16059

> <PUBCHEM_XREF_EXT_ID>
16059

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.chemspider.com/Chemical-Structure.16059.html

> <PUBCHEM_CID_ASSOCIATIONS>
16950  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
15  7  5
13  9  5

$$$$