-OEChem-09021010392D

 17 16  0     0  0  0  0  0  0999 V2000
    3.7321   -0.4330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421    1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8157611

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
DiscoveryGate

> <PUBCHEM_EXT_DATASOURCE_REGID>
10541

> <PUBCHEM_XREF_EXT_ID>
10541

> <PUBCHEM_EXT_DATASOURCE_URL>
https://www.discoverygate.com

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.discoverygate.com/interlink/search?KeyName=EXTREG&KeyValue=10541&Database=INDEX&Source=PUBCHEM

> <PUBCHEM_CID_ASSOCIATIONS>
10541  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$