170687
 OpenBabel05082101102D

 41 42  0  0  1  0  0  0  0  0999 V2000
    5.5640    2.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    0.9446    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3660    1.4446    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2320   -0.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9691    1.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5752    2.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    0.6932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8649    1.8097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6907   -0.4726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    0.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880    0.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3395    1.5435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3345    1.1108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5056    1.9225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5761    3.0364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9588    2.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145   -1.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4855   -1.1782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    1.5552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    1.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8923   -1.0429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4384   -2.0919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    0.4771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923   -3.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826   -2.7315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -1.1860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -0.3889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -2.7315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -3.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -2.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
170687

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
149

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQCggAIAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAAGAwOAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan

>  <PUBCHEM_IUPAC_CAS_NAME>
1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,3<I>a</I>,4,5,6,7,8,9,10,11,12,13,13<I>a</I>-tetradecahydrocyclododeca[c]furan

>  <PUBCHEM_IUPAC_NAME>
1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H26O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h13-14H,1-12H2

>  <PUBCHEM_IUPAC_INCHIKEY>
ZOMKNVYKXOZLFE-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
5.2

>  <PUBCHEM_EXACT_MASS>
210.198365

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H26O

>  <PUBCHEM_MOLECULAR_WEIGHT>
210.36

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCCCCC2COCC2CCCC1

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCCCCC2COCC2CCCC1

>  <PUBCHEM_CACTVS_TPSA>
9.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.198365

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <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>
2  4  3
3  5  3

$$$$
