-OEChem-01131113502D

 32 36  0     1  0  0  0  0  0999 V2000
    9.7834    6.4855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0687    9.3741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5949   10.2477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950    5.6602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5409   11.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7834    7.3108    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0687    6.8981    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7834    8.1361    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3540    7.3108    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6392    6.8981    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5683    8.3912    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0687    8.5488    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6392    6.0728    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3540    8.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5683    7.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0687    6.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0534    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7820    9.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3540    5.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7834    8.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9244    7.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9244    5.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6392    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2098    6.0728    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2098    6.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3145    9.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5733    9.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8170   10.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0687    7.7234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3540    6.4855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3656    8.6048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6392    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  1  0  0  0
 12  2  1  1  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
 24  4  1  1  0  0  0
  5 28  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  1  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  1  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 30  1  6  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 10 23  1  1  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 31  1  6  0  0  0
 12 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 22  1  0  0  0  0
 13 32  1  1  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 18 26  2  0  0  0  0
 18 27  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
85300734

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
LipidMAPS

> <PUBCHEM_EXT_DATASOURCE_REGID>
LMST01120008

> <PUBCHEM_SUBSTANCE_SYNONYM>
LMST01120008

> <PUBCHEM_XREF_EXT_ID>
LMST01120008

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.lipidmaps.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LM_ID=LMST01120008

> <PUBCHEM_CID_ASSOCIATIONS>
15478  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
6  1  5
10  23  5
11  31  6
13  32  5
12  2  5
24  4  5
7  29  5
8  20  5
9  30  6

$$$$