94164
 OpenBabel05082101102D

 39 41  0  0  1  0  0  0  0  0999 V2000
    2.5739    1.2704    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3886    2.0435    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    0.8503    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2246    1.1078    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0843    1.4331    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3827    2.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827    0.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8211    2.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0904    0.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9331    2.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0899   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9557   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210   -2.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0890   -2.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    2.5198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031    1.4720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9117    2.5001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754    2.7611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1480   -0.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240    0.1696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4266    2.2602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543    2.9990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2156    2.5267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7009    0.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3027    1.1899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214    1.6317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3150    2.5020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4447    2.3956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4794   -0.2847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8776   -0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4928   -0.5833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5108   -2.9303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3578   -2.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1313   -1.8567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -1.8556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5519   -2.7024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3987   -2.9297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
94164

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
309

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAGAAAAYMGAAAAAAAAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane

>  <PUBCHEM_IUPAC_CAS_NAME>
1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.0<SUP>2,6</SUP>]heptane

>  <PUBCHEM_IUPAC_NAME>
1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
KWFJIXPIFLVMPM-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
5.2

>  <PUBCHEM_EXACT_MASS>
204.187801

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H24

>  <PUBCHEM_MOLECULAR_WEIGHT>
204.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC1(C2CC3C1(C3C2)C)C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCCC1(C2CC3C1(C3C2)C)C)C

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.187801

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <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>
2  6  3
3  7  3
4  10  3

$$$$
