107035
 OpenBabel05082101102D

 40 43  0  0  1  0  0  0  0  0999 V2000
    2.0238    0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    0.2441    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7841   -0.2559    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9180    1.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.7441    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0080   -0.2628    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4180    0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -1.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -1.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113    2.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045    1.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3101   -2.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    2.3641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3881   -0.2557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209    1.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209    0.3735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.3385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607    0.3517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607    1.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    1.8267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -1.1936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -1.8864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048   -2.3012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030   -2.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0777    2.4098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2591    2.7240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9449    1.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2567    2.2173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4382    1.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7523    1.0845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7768   -2.4738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6263   -2.6909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434   -1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8072   -1.9058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4200   -1.2787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7929   -0.6659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  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
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
107035

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
370

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAEgAAAYMAAAAwYAAABIAAAGDQAAAAGgAAAAAAD1SggAICAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAAGAwPAPgAAAAAAAAADAAAYAADAAAYAADAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2,8,8-tetramethyl-6-oxatetracyclo[7.2.1.01,7.05,7]dodecane

>  <PUBCHEM_IUPAC_CAS_NAME>
2,2,8,8-tetramethyl-6-oxatetracyclo[7.2.1.01,7.05,7]dodecane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,2,8,8-tetramethyl-6-oxatetracyclo[7.2.1.0<SUP>1,7</SUP>.0<SUP>5,7</SUP>]dodecane

>  <PUBCHEM_IUPAC_NAME>
2,2,8,8-tetramethyl-6-oxatetracyclo[7.2.1.01,7.05,7]dodecane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2,8,8-tetramethyl-6-oxatetracyclo[7.2.1.01,7.05,7]dodecane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2,8,8-tetramethyl-6-oxatetracyclo[7.2.1.01,7.05,7]dodecane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
VQHLGZRKOZIABH-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.8

>  <PUBCHEM_EXACT_MASS>
220.182715

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

>  <PUBCHEM_MOLECULAR_WEIGHT>
220.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C

>  <PUBCHEM_CACTVS_TPSA>
12.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.182715

>  <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>
2  6  3
3  9  3
5  10  3
6  11  3

$$$$
