140734
  -OEChem-05142420252D

 16 20  0     1  0  0  0  0  0999 V2000
    2.5000   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5000   -2.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5000   -4.1500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5000   -6.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5000   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748   -1.4697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7940   -4.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    1.3151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7904   -2.0869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831   -4.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592   -7.6656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129   -1.8712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7817   -4.6526    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  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
140734

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
176

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAAAAAAAAAAAAAAGDBgwYMAAAAAAAAAAAAAAAAAAAAAGAAAAAAADQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAOgAAAAAAAAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
pentacyclo[3.3.0.02,4.03,7.06,8]octane

> <PUBCHEM_IUPAC_CAS_NAME>
pentacyclo[3.3.0.02,4.03,7.06,8]octane

> <PUBCHEM_IUPAC_NAME_MARKUP>
pentacyclo[3.3.0.0<SUP>2,4</SUP>.0<SUP>3,7</SUP>.0<SUP>6,8</SUP>]octane

> <PUBCHEM_IUPAC_NAME>
pentacyclo[3.3.0.02,4.03,7.06,8]octane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pentacyclo[3.3.0.02,4.03,7.06,8]octane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
pentacyclo[3.3.0.02,4.03,7.06,8]octane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H8/c1-2-5(1)6-3-4(6)8(2)7(1)3/h1-8H

> <PUBCHEM_IUPAC_INCHIKEY>
YIJMEXRVJPVGIY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
104.062600255

> <PUBCHEM_MOLECULAR_FORMULA>
C8H8

> <PUBCHEM_MOLECULAR_WEIGHT>
104.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C12C3C4C3C5C4C1C25

> <PUBCHEM_OPENEYE_ISO_SMILES>
C12C3C4C3C5C4C1C25

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
104.062600255

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
3  1  3
4  1  3
5  2  3
6  2  3

$$$$