106673
 OpenBabel05082101102D

 45 47  0  0  1  0  0  0  0  0999 V2000
    2.6176   -3.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.1614    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9396    2.1273    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3386    1.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3081    0.5694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0798    0.6526    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2030    3.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9661    1.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8855   -0.3370    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3331    1.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7453    2.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5798   -0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4591   -1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8893   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0364   -2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0403   -2.1496    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6989    0.5416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9256    1.5075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6887    0.5964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6813    0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5208    3.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5899    3.2019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7718    2.0978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3803    1.3058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5031   -0.2829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2683    0.8973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9497    1.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    2.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3117    2.2798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9975    3.0984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1789    2.7842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0428   -0.5235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8898   -0.7504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167    0.0965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9670   -1.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8975   -0.7177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9433    0.1935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2904   -0.2636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9824   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6353   -2.2229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588   -0.9748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0283   -1.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226   -2.2036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  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
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
106673

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
288

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4IAAAAAAAAAAAAAAAAAAAAYMAAAAwYAAAAAAAAAAAAAAAGgAACAAADxSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAADAAAQAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(5,5,6-trimethylnorbornan-2-yl)cyclohexanol

>  <PUBCHEM_IUPAC_CAS_NAME>
4-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-cyclohexanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
4-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

>  <PUBCHEM_IUPAC_NAME>
4-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(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)11-4-6-13(17)7-5-11/h10-15,17H,4-9H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
PCFHYANYPQEMPU-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4.5

>  <PUBCHEM_EXACT_MASS>
236.214016

>  <PUBCHEM_MOLECULAR_FORMULA>
C16H28O

>  <PUBCHEM_MOLECULAR_WEIGHT>
236.39

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C2CC(C1(C)C)CC2C3CCC(CC3)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C2CC(C1(C)C)CC2C3CCC(CC3)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>
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  7  3
3  7  3
5  9  3
6  12  3

$$$$
