PC-Compound ::= {
  id {
    id cid 20377074
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
      15,
      16,
      17,
      18,
      19,
      20,
      21,
      22,
      23
    },
    element {
      cl,
      cl,
      cl,
      cl,
      cl,
      cl,
      cl,
      cl,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      9,
      9,
      10,
      10,
      10,
      11,
      11,
      11,
      13,
      13,
      14,
      16,
      16,
      17,
      17
    },
    aid2 {
      9,
      11,
      12,
      12,
      14,
      15,
      16,
      17,
      10,
      12,
      14,
      13,
      16,
      18,
      12,
      13,
      15,
      19,
      20,
      15,
      17,
      21,
      22,
      23
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 9,
      above 1,
      top 10,
      bottom 12,
      below 14,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 10,
      above 9,
      top 13,
      bottom 16,
      below 18,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 11,
      above 2,
      top 12,
      bottom 13,
      below 15,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 16,
      above 7,
      top 10,
      bottom 17,
      below 21,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        twod,
        computed,
        units-unknown
      },
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23
      },
      conformers {
        {
          x {
            { 49568, 10, -4 },
            { 57332, 10, -4 },
            { 48424, 10, -4 },
            { 38243, 10, -4 },
            { 75476, 10, -4 },
            { 81724, 10, -4 },
            { 39318, 10, -4 },
            { 2, 10, 0 },
            { 52156, 10, -4 },
            { 34836, 10, -4 },
            { 54744, 10, -4 },
            { 47378, 10, -4 },
            { 29836, 10, -4 },
            { 70476, 10, -4 },
            { 73064, 10, -4 },
            { 32247, 10, -4 },
            { 22588, 10, -4 },
            { 28689, 10, -4 },
            { 27129, 10, -4 },
            { 24358, 10, -4 },
            { 30643, 10, -4 },
            { 22048, 10, -4 },
            { 16412, 10, -4 }
          },
          y {
            { -8421, 10, -4 },
            { 20557, 10, -4 },
            { 30669, 10, -4 },
            { 24791, 10, -4 },
            { -1501, 10, -3 },
            { 8309, 10, -4 },
            { -25492, 10, -4 },
            { -30669, 10, -4 },
            { 1238, 10, -4 },
            { -8762, 10, -4 },
            { 10897, 10, -4 },
            { 20723, 10, -4 },
            { -102, 10, -4 },
            { -635, 10, -3 },
            { 3309, 10, -4 },
            { -18421, 10, -4 },
            { -21009, 10, -4 },
            { -9571, 10, -4 },
            { 5476, 10, -4 },
            { -3007, 10, -4 },
            { -2441, 10, -3 },
            { -14833, 10, -4 },
            { -20469, 10, -4 }
          },
          style {
            annotation {
              wavy,
              wavy,
              wavy,
              wavy
            },
            aid1 {
              9,
              10,
              11,
              16
            },
            aid2 {
              1,
              13,
              2,
              7
            }
          }
        }
      }
    }
  },
  charge 0,
  props {
    {
      urn {
        label "Compound",
        name "Canonicalized",
        datatype uint,
        release "2010.01.29"
      },
      value ival 1
    },
    {
      urn {
        label "Compound Complexity",
        datatype double,
        implementation "E_COMPLEXITY",
        version "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value fval { 391, 10, 0 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value ival 0
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value ival 0
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value ival 2
    },
    {
      urn {
        label "Fingerprint",
        name "SubStructure Keys",
        datatype fingerprint,
        parameters "extended 2",
        implementation "E_SCREEN",
        version "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value binary '0000037180700000078000000000000000000000000182000000200000
000000000000000000001802000000000D038000C0000000000000800000400000000000200000
0008400002080000020100000000000080000800030080C00E8000000000000000000000000000
0001100048800200'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]he
pt-2-ene"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]he
pt-2-ene"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]he
pt-2-ene"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "5-[1,2-bis(chloranyl)ethyl]-1,2,3,4,7,7-hexakis(chloranyl)bi
cyclo[2.2.1]hept-2-ene"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]he
pt-2-ene"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.02.08"
      },
      value sval "InChI=1S/C9H6Cl8/c10-2-4(11)3-1-7(14)5(12)6(13)8(3,15)9(7,16
)17/h3-4H,1-2H2"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.02.08"
      },
      value sval "LIAJOCPBQSUISJ-UHFFFAOYSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3-AA",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2012.02.08"
      },
      value fval { 48, 10, -1 }
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.02.08"
      },
      value fval { 397791871, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.02.08"
      },
      value sval "C9H6Cl8"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.02.08"
      },
      value fval { 39776794, 10, -5 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(CCl)Cl"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(CCl)Cl"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value fval { 0, 10, 0 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.02.08"
      },
      value fval { 393797772, 10, -6 }
    }
  },
  count {
    heavy-atom 17,
    atom-chiral 4,
    atom-chiral-def 0,
    atom-chiral-undef 4,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}