75524
  -OEChem-04262410282D

 42 45  0     1  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6260    1.0347    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6260   -1.0347    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8648    1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5882    2.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8648   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5882   -2.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7168    2.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7168   -2.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7273    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7273   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3289    1.3097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1557    1.3569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3289   -1.3097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1557   -1.3569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1429    0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7411    1.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7411   -1.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1429   -0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6472    2.5723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2548    1.8808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2021    1.9388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827    2.6143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2548   -1.8808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6472   -2.5723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827   -2.6143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2021   -1.9388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1049    2.9826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    2.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -2.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1049   -2.9826    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 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
75524

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
217

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAADAAAAAGAAAAAAADQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAOgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2,3,3<I>a</I>,4,5,5<I>a</I>,6,7,8,8<I>a</I>,9,10,10<I>a</I>,10<I>b</I>,10<I>c</I>-hexadecahydropyrene

> <PUBCHEM_IUPAC_NAME>
1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2

> <PUBCHEM_IUPAC_INCHIKEY>
BYBPEZLZCGOWIS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.3

> <PUBCHEM_EXACT_MASS>
218.203450829

> <PUBCHEM_MOLECULAR_FORMULA>
C16H26

> <PUBCHEM_MOLECULAR_WEIGHT>
218.38

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2CCC3CCCC4C3C2C(C1)CC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2CCC3CCCC4C3C2C(C1)CC4

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.203450829

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  11  3
4  12  3
5  13  3
6  14  3

$$$$