103005
 OpenBabel05082101102D

 45 47  0  0  1  0  0  0  0  0999 V2000
    2.2620   -1.8978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723    0.6812    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7312    1.6471    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1301    1.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0996    0.0892    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8713    0.1724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9946    2.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7576    1.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6770   -0.8171    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1246    1.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5368    2.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3713   -0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6808   -0.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2506   -1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2582   -1.8106    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8280   -2.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8318   -2.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4904    0.0615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7171    1.0273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4802    0.1162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4728   -0.3026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3124    3.1621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3814    2.7217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5633    1.6176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1719    0.8257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2947   -0.7631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0598    0.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7412    0.9690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1894    1.6504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1032    1.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7890    2.6183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9704    2.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8344   -1.0036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6813   -1.2306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9082   -0.3836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7349   -0.2866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0820   -0.7438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585   -1.9919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6890   -1.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026   -1.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740   -3.1602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4269   -2.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2699   -2.8918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9923   -3.2286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 45  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  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 16  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
103005

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
296

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4IAAAAAAAAAAAAAAAAAAAAYMAAAAwYAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAACAAAYAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(5,5,6-trimethylnorbornan-2-yl)cyclohexanol

>  <PUBCHEM_IUPAC_CAS_NAME>
3-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-cyclohexanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

>  <PUBCHEM_IUPAC_NAME>
3-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(5,5,6-trimethylnorbornan-2-yl)cyclohexanol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
BWVZAZPLUTUBKD-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4.6

>  <PUBCHEM_EXACT_MASS>
236.214016

>  <PUBCHEM_MOLECULAR_FORMULA>
C16H28O

>  <PUBCHEM_MOLECULAR_WEIGHT>
236.39

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C2CC(C1(C)C)CC2C3CCCC(C3)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C2CC(C1(C)C)CC2C3CCCC(C3)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
236.214016

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
17

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
6

>  <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>
15  1  3
2  7  3
3  7  3
5  8  3
6  12  3
9  14  3

$$$$
