534931
 OpenBabel05082101102D

 42 44  0  0  1  0  0  0  0  0999 V2000
    2.9945   -0.7154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7266    0.2846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8606   -0.2154    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9945    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    1.2846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6775    0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6366   -0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7266    1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8606    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8445   -1.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446   -1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7425   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855   -0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6365   -0.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1265    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576    1.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1081    0.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7499   -0.1481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3372    1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9386    1.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2591    2.2596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620    2.2596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2353   -1.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265   -1.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8582   -1.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2546   -1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3416   -2.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1398   -2.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    1.0058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8211    0.1984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6840   -0.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -0.8048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6437   -0.8306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2565   -0.2035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6293    0.4093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6670    0.3458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4303    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5860    0.9533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -1.3354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 42  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  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  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
534931

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
330

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwYAAAAAAAAGDAAAAAGgAACAAAD0SAgAACAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAACAAAYAADAAAYAADAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-9-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-9-ol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,2,8,8-tetramethyl-octahydro-1<I>H</I>-2,4<I>a</I>-methanonapthalen-9-ol

>  <PUBCHEM_IUPAC_NAME>
2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-9-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-9-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-9-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-12(2)7-5-8-15(16)13(3,4)11-6-9-14(12,15)10-11/h11,16H,5-10H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
CCMWYZQSEJEAEY-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4

>  <PUBCHEM_EXACT_MASS>
222.198365

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

>  <PUBCHEM_MOLECULAR_WEIGHT>
222.37

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC2(C13CCC(C3)C2(C)C)O)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCCC2(C13CCC(C3)C2(C)C)O)C

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198365

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

>  <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  1  3
2  8  3
5  9  3

$$$$
