9108
 OpenBabel05082101102D

 38 43  0  0  0  0  0  0  0  0999 V2000
    3.7841    0.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8909   -0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6400   -2.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    2.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7212   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681   -0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8407   -1.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5601    0.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0451   -0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    2.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5702   -2.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001    3.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6689   -3.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5430   -3.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021    4.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5860   -4.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239    0.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1062   -0.7580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870    2.4083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2906   -2.2324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0934    0.9077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022   -0.6874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    2.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1136   -2.2727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3406    3.9436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1188   -3.8733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    3.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0708   -3.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045    4.7876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5633   -4.7872    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  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6 14  2  0  0  0  0
  6 16  1  0  0  0  0
  7  9  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 19  2  0  0  0  0
 10 14  1  0  0  0  0
 10 20  2  0  0  0  0
 11 16  2  0  0  0  0
 11 25  1  0  0  0  0
 12 15  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 19 23  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 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
9108

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
436

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGAAAAAAADACAGAAwAMAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

>  <PUBCHEM_IUPAC_CAS_NAME>
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]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>9,23</SUP>.0<SUP>13,18</SUP>.0<SUP>20,24</SUP>]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

>  <PUBCHEM_IUPAC_NAME>
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

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

>  <PUBCHEM_IUPAC_INCHIKEY>
RXUSYFJGDZFVND-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
7

>  <PUBCHEM_EXACT_MASS>
302.10955

>  <PUBCHEM_MOLECULAR_FORMULA>
C24H14

>  <PUBCHEM_MOLECULAR_WEIGHT>
302.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6=CC=CC=C56)C=C3

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6=CC=CC=C56)C=C3

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

$$$$
