136145
  -OEChem-04182411512D

 39 39  0     0  0  0  0  0  0999 V2000
    4.0741   -2.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1031   -1.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450   -1.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3546   -1.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7935   -1.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1481   -0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1205    0.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0276    0.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6886    1.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4595    1.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741    2.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    2.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7219   -2.5692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0741   -1.4389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5541   -2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -1.2706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9703   -2.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7569   -1.2706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7346   -1.1565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8649   -0.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0134   -1.7362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2833   -0.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4510    0.0666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155   -0.1467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6122   -0.6326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5326   -0.1467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7683    1.2815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7002    0.5514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6296    0.6229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4479    0.5514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6139    2.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0997    1.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    1.7426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0484    1.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7939    2.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7224    1.4570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0381    2.4701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4257    1.4570    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 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
136145

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
48.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclotridecane

> <PUBCHEM_IUPAC_CAS_NAME>
cyclotridecane

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclotridecane

> <PUBCHEM_IUPAC_NAME>
cyclotridecane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclotridecane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclotridecane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H26/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-13H2

> <PUBCHEM_IUPAC_INCHIKEY>
UEVXKGPJXXDGCX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
7.2

> <PUBCHEM_EXACT_MASS>
182.203450829

> <PUBCHEM_MOLECULAR_FORMULA>
C13H26

> <PUBCHEM_MOLECULAR_WEIGHT>
182.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCCCCCCCCCCC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCCCCCCCCCCC1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.203450829

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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

$$$$