16945
 OpenBabel05082101102D

 22 26  0  0  0  0  0  0  0  0999 V2000
    2.7809   -0.6227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4337    2.4222    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1725   -2.4222    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7052   -0.4479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3444   -1.1246    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4026   -1.5636    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2065    1.5925    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4815    1.3975    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5368    0.6875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5328   -0.4880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4530    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0420    0.4227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6858   -0.1970    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6585    1.4478    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9588   -1.4453    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9459    0.2027    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4464   -0.6846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1982   -0.9577    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4247    0.9689    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1797    0.6816    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7258    0.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9188   -0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
16945

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
567

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBwAAAHgAAAAAAAAAAAAABgwYMGDAAAAAAAAAAAAAAAAAAACAIAAAAADAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAgAAAAIBAAAAAAAAAAAAAAEAgMAOgAAAAAAAAACIACRAASIACRAASIACAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane

>  <PUBCHEM_IUPAC_CAS_NAME>
1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0<SUP>2,6</SUP>.0<SUP>3,9</SUP>.0<SUP>4,8</SUP>]decane

>  <PUBCHEM_IUPAC_NAME>
1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3,4,5,5,6,7,8,9,10,10-dodecakis(chloranyl)pentacyclo[5.3.0.02,6.03,9.04,8]decane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18

>  <PUBCHEM_IUPAC_INCHIKEY>
GVYLCNUFSHDAAW-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
5.3

>  <PUBCHEM_EXACT_MASS>
545.617382

>  <PUBCHEM_MOLECULAR_FORMULA>
C10Cl12

>  <PUBCHEM_MOLECULAR_WEIGHT>
545.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
539.626232

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
22

>  <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

$$$$
