9119
 OpenBabel05082101102D

 38 43  0  0  0  0  0  0  0  0999 V2000
    5.6591   -0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931   -0.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251   -0.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251    0.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931    0.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6752   -2.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591    1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8831   -0.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3846   -0.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751   -2.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7771   -2.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5523   -2.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3980   -1.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3959    1.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8831    1.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2670   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6752    2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562   -0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2727    0.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9396   -2.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751    2.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7771    2.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795   -3.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5721   -3.1095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9410   -2.2713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3922    1.6486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3498    0.7051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8010   -0.8015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2157    2.3597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682    0.1916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8102    0.8339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420   -3.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3369    2.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795    3.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -0.6401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -2.3492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4 14  2  0  0  0  0
  5  7  1  0  0  0  0
  5 15  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 17  2  0  0  0  0
  8 10  1  0  0  0  0
  8 18  2  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 19  1  0  0  0  0
 14 28  1  0  0  0  0
 15 21  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 22  1  0  0  0  0
 17 31  1  0  0  0  0
 18 23  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 24  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
9119

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
480

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGAAAAAAADACAGAAwAMAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

>  <PUBCHEM_IUPAC_CAS_NAME>
hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
hexacyclo[10.10.2.0<SUP>2,7</SUP>.0<SUP>8,24</SUP>.0<SUP>15,23</SUP>.0<SUP>17,22</SUP>]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

>  <PUBCHEM_IUPAC_NAME>
hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H

>  <PUBCHEM_IUPAC_INCHIKEY>
JNTHRSHGARDABO-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
7.2

>  <PUBCHEM_EXACT_MASS>
302.10955

>  <PUBCHEM_MOLECULAR_FORMULA>
C24H14

>  <PUBCHEM_MOLECULAR_WEIGHT>
302.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C6=CC=CC=C6C5=CC=C4

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C6=CC=CC=C6C5=CC=C4

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
302.10955

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
24

>  <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
1  6  8
10  11  8
10  20  8
12  13  8
14  19  8
15  21  8
16  19  8
17  22  8
18  23  8
2  5  8
2  8  8
20  24  8
21  22  8
23  24  8
3  4  8
3  9  8
4  14  8
4  7  8
5  15  8
5  7  8
6  11  8
6  12  8
7  17  8
8  10  8
8  18  8
9  13  8
9  16  8

$$$$
