130801
  -OEChem-04242402292D

 29 32  0     0  0  0  0  0  0999 V2000
    6.5251    0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591   -0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931    0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714    1.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8831   -0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591    1.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714   -0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751   -1.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6752   -1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0550    0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7771   -1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9396   -1.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0087    1.9130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2203    2.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591    2.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2562    1.6091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6640   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2157   -1.5462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750    0.7991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795   -2.3902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682    0.9762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420   -2.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    0.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -1.5645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  9  1  0  0  0  0
  2  4  2  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
130801

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
316

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4AAAAAAAAAAAAAAAAAAAAAQAAAAAwYMAAAAAAAEDBVAAAGAAAAAAADACAGAAwAMAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
17H-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_CAS_NAME>
17H-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_NAME_MARKUP>
17<I>H</I>-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_NAME>
17H-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
17H-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
17H-cyclopenta[a]phenanthrene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H12/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h1-4,6-11H,5H2

> <PUBCHEM_IUPAC_INCHIKEY>
WTBYIGJBYRZQDP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
216.093900383

> <PUBCHEM_MOLECULAR_FORMULA>
C17H12

> <PUBCHEM_MOLECULAR_WEIGHT>
216.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C=CC2=C1C=CC3=C2C=CC4=CC=CC=C43

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C=CC2=C1C=CC3=C2C=CC4=CC=CC=C43

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
216.093900383

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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

> <PUBCHEM_BONDANNOTATIONS>
1  2  8
1  3  8
10  13  8
10  15  8
11  13  8
14  16  8
15  17  8
16  17  8
2  11  8
2  4  8
3  7  8
4  6  8
4  8  8
6  10  8
6  14  8
7  8  8

$$$$