PC-Compound ::= {
  id {
    id cid 15625
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
      15,
      16,
      17,
      18,
      19,
      20,
      21,
      22
    },
    element {
      cl,
      cl,
      cl,
      cl,
      o,
      o,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      2,
      3,
      4,
      5,
      5,
      6,
      6,
      7,
      7,
      8,
      9,
      9,
      10,
      11,
      11,
      12,
      12,
      13,
      13,
      14,
      14,
      15,
      17
    },
    aid2 {
      18,
      17,
      16,
      15,
      7,
      9,
      8,
      10,
      8,
      14,
      13,
      10,
      12,
      11,
      18,
      22,
      17,
      21,
      16,
      20,
      15,
      19,
      16,
      18
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      double,
      single,
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      double
    }
  },
  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
      },
      conformers {
        {
          x {
            { 2, 10, 0 },
            { 2, 10, 0 },
            { 90602, 10, -4 },
            { 90602, 10, -4 },
            { 55301, 10, -4 },
            { 55301, 10, -4 },
            { 63961, 10, -4 },
            { 63961, 10, -4 },
            { 46641, 10, -4 },
            { 46641, 10, -4 },
            { 37702, 10, -4 },
            { 37702, 10, -4 },
            { 72901, 10, -4 },
            { 72901, 10, -4 },
            { 81962, 10, -4 },
            { 81962, 10, -4 },
            { 28641, 10, -4 },
            { 28641, 10, -4 },
            { 72829, 10, -4 },
            { 72829, 10, -4 },
            { 37773, 10, -4 },
            { 37773, 10, -4 }
          },
          y {
            { -10241, 10, -4 },
            { 10241, 10, -4 },
            { -10241, 10, -4 },
            { 10241, 10, -4 },
            { 1, 10, 0 },
            { -1, 10, 0 },
            { 5, 10, -1 },
            { -5, 10, -1 },
            { 5, 10, -1 },
            { -5, 10, -1 },
            { -10347, 10, -4 },
            { 10347, 10, -4 },
            { -10347, 10, -4 },
            { 10347, 10, -4 },
            { 5208, 10, -4 },
            { -5208, 10, -4 },
            { 5208, 10, -4 },
            { -5208, 10, -4 },
            { 16546, 10, -4 },
            { -16546, 10, -4 },
            { 16546, 10, -4 },
            { -16546, 10, -4 }
          },
          style {
            annotation {
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic
            },
            aid1 {
              7,
              7,
              8,
              9,
              9,
              10,
              11,
              12,
              13,
              14,
              15,
              17
            },
            aid2 {
              8,
              14,
              13,
              10,
              12,
              11,
              18,
              17,
              16,
              15,
              16,
              18
            }
          }
        }
      }
    }
  },
  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 "2011.04.04"
      },
      value fval { 259, 10, 0 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.04.04"
      },
      value ival 2
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.04.04"
      },
      value ival 0
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.04.04"
      },
      value ival 0
    },
    {
      urn {
        label "Fingerprint",
        name "SubStructure Keys",
        datatype fingerprint,
        parameters "extended 2",
        implementation "E_SCREEN",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.04.04"
      },
      value binary '0000037180703000070000000000000000000000000000000000346080
000000000000914000001A02000000000806809020300680000400800020420000020800202500
008A40068A880D262285321A823822A4C0110AA807804000000020000100004004004000020000
8008000000000000'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.04.04"
      },
      value sval "2,3,7,8-tetrachlorodibenzo-p-dioxin"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.04.04"
      },
      value sval "2,3,7,8-tetrachlorodibenzo-p-dioxin"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.04.04"
      },
      value sval "2,3,7,8-tetrachlorodibenzo-p-dioxin"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.04.04"
      },
      value sval "2,3,7,8-tetrakis(chloranyl)dibenzo-p-dioxin"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.04.04"
      },
      value sval "2,3,7,8-tetrachlorodibenzo-p-dioxin"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.04.04"
      },
      value sval "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)
3-11(12)17-9/h1-4H"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.04.04"
      },
      value sval "HGUFODBRKLSHSI-UHFFFAOYSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2011.04.04"
      },
      value fval { 64, 10, -1 }
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.04.04"
      },
      value fval { 32189359, 10, -5 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.04.04"
      },
      value sval "C12H4Cl4O2"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.04.04"
      },
      value fval { 32197096, 10, -5 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.04.04"
      },
      value sval "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.04.04"
      },
      value sval "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.04.04"
      },
      value fval { 185, 10, -1 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.04.04"
      },
      value fval { 31989654, 10, -5 }
    }
  },
  count {
    heavy-atom 18,
    atom-chiral 0,
    atom-chiral-def 0,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}