PC-Compound ::= {
  id {
    id cid 5284469
  },
  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,
      24,
      25,
      26
    },
    element {
      cl,
      cl,
      cl,
      cl,
      cl,
      cl,
      cl,
      cl,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      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,
      15,
      16,
      16,
      17,
      17,
      18,
      18
    },
    aid2 {
      9,
      11,
      12,
      12,
      13,
      14,
      16,
      17,
      10,
      12,
      13,
      15,
      16,
      17,
      12,
      14,
      15,
      14,
      19,
      20,
      18,
      23,
      24,
      21,
      22,
      25,
      26
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 9,
      above 1,
      top 10,
      bottom 12,
      below 13,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 11,
      above 2,
      top 12,
      bottom 14,
      below 15,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 13,
      above 5,
      top 9,
      bottom 14,
      below 19,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 14,
      above 6,
      top 11,
      bottom 13,
      below 20,
      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,
        24,
        25,
        26
      },
      conformers {
        {
          x {
            { 49392, 10, -4 },
            { 57156, 10, -4 },
            { 38066, 10, -4 },
            { 48247, 10, -4 },
            { 32071, 10, -4 },
            { 2, 10, 0 },
            { 8048, 10, -3 },
            { 60118, 10, -4 },
            { 5198, 10, -3 },
            { 70299, 10, -4 },
            { 54568, 10, -4 },
            { 47202, 10, -4 },
            { 34659, 10, -4 },
            { 29659, 10, -4 },
            { 72888, 10, -4 },
            { 79435, 10, -4 },
            { 69254, 10, -4 },
            { 81548, 10, -4 },
            { 39578, 10, -4 },
            { 29182, 10, -4 },
            { 70754, 10, -4 },
            { 75439, 10, -4 },
            { 8562, 10, -3 },
            { 80935, 10, -4 },
            { 86917, 10, -4 },
            { 81548, 10, -4 }
          },
          y {
            { -13574, 10, -4 },
            { 15404, 10, -4 },
            { 19638, 10, -4 },
            { 25516, 10, -4 },
            { -23574, 10, -4 },
            { -2666, 10, -4 },
            { -25516, 10, -4 },
            { -25516, 10, -4 },
            { -3915, 10, -4 },
            { -11503, 10, -4 },
            { 5744, 10, -4 },
            { 1557, 10, -3 },
            { -13915, 10, -4 },
            { -5255, 10, -4 },
            { -1844, 10, -4 },
            { -1557, 10, -3 },
            { -21448, 10, -4 },
            { 3156, 10, -4 },
            { -17689, 10, -4 },
            { 927, 10, -4 },
            { -27464, 10, -4 },
            { -21016, 10, -4 },
            { -16003, 10, -4 },
            { -9555, 10, -4 },
            { 56, 10, -4 },
            { 9356, 10, -4 }
          },
          style {
            annotation {
              wavy,
              wavy,
              wavy,
              wavy
            },
            aid1 {
              9,
              11,
              13,
              14
            },
            aid2 {
              1,
              2,
              5,
              6
            }
          }
        }
      }
    }
  },
  charge 0,
  props {
    {
      urn {
        label "Compound",
        name "Canonicalized",
        datatype uint,
        release "2011.04.04"
      },
      value ival 1
    },
    {
      urn {
        label "Compound Complexity",
        datatype double,
        implementation "E_COMPLEXITY",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value fval { 403, 10, 0 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 0
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 0
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 2
    },
    {
      urn {
        label "Fingerprint",
        name "SubStructure Keys",
        datatype fingerprint,
        parameters "extended 2",
        implementation "E_SCREEN",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value binary '00000371C0700000078000000000000000000000000183000000300000
000000000000000000001802000000000E038000C0000000000000800200420000000000200000
0000400002080000020100000000000080000000010080C00F8000000000000000080024400122
0009100048800200'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "1,4,5,6,7,7-hexachloro-2,2-bis(chloromethyl)-3-methylene-nor
bornane"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "1,4,5,6,7,7-hexachloro-3,3-bis(chloromethyl)-2-methylenebicy
clo[2.2.1]heptane"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "1,4,5,6,7,7-hexachloro-3,3-bis(chloromethyl)-2-methylidenebi
cyclo[2.2.1]heptane"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "1,4,5,6,7,7-hexakis(chloranyl)-3,3-bis(chloromethyl)-2-methy
lidene-bicyclo[2.2.1]heptane"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "1,4,5,6,7,7-hexachloro-2,2-bis(chloromethyl)-3-methylene-nor
bornane"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(
9,17)18/h5-6H,1-3H2"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "OEJNXTAZZBRGDN-UHFFFAOYSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3-AA",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2011.09.13"
      },
      value fval { 47, 10, -1 }
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 411807522, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value sval "C10H8Cl8"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 41179452, 10, -5 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value fval { 0, 10, 0 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 407813422, 10, -6 }
    }
  },
  count {
    heavy-atom 18,
    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
  }
}