PC-Compound ::= {
  id {
    id cid 451208
  },
  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,
      27,
      28,
      29,
      30,
      31
    },
    element {
      cl,
      cl,
      o,
      o,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    },
    isotope {
      {
        aid 10,
        value 11
      }
    }
  },
  bonds {
    aid1 {
      1,
      2,
      3,
      4,
      5,
      5,
      5,
      6,
      6,
      6,
      7,
      7,
      7,
      8,
      8,
      9,
      9,
      12,
      12,
      13,
      13,
      14,
      14,
      15,
      15,
      16,
      16,
      17,
      17,
      18,
      18,
      19,
      19
    },
    aid2 {
      21,
      20,
      10,
      11,
      7,
      11,
      22,
      10,
      11,
      23,
      8,
      9,
      10,
      13,
      15,
      12,
      14,
      17,
      25,
      16,
      24,
      18,
      27,
      19,
      26,
      20,
      28,
      21,
      29,
      21,
      31,
      20,
      30
    },
    order {
      single,
      single,
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      double,
      single,
      double,
      single,
      single,
      single,
      single,
      single
    }
  },
  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,
        27,
        28,
        29,
        30,
        31
      },
      conformers {
        {
          x {
            { 2, 10, 0 },
            { 56555, 10, -4 },
            { 52444, 10, -4 },
            { 85523, 10, -4 },
            { 69372, 10, -4 },
            { 69937, 10, -4 },
            { 59975, 10, -4 },
            { 56555, 10, -4 },
            { 49982, 10, -4 },
            { 60324, 10, -4 },
            { 75529, 10, -4 },
            { 45287, 10, -4 },
            { 47895, 10, -4 },
            { 44682, 10, -4 },
            { 65215, 10, -4 },
            { 47895, 10, -4 },
            { 35293, 10, -4 },
            { 34688, 10, -4 },
            { 65215, 10, -4 },
            { 56555, 10, -4 },
            { 29994, 10, -4 },
            { 71081, 10, -4 },
            { 72058, 10, -4 },
            { 42526, 10, -4 },
            { 48572, 10, -4 },
            { 70585, 10, -4 },
            { 47593, 10, -4 },
            { 42526, 10, -4 },
            { 32382, 10, -4 },
            { 70585, 10, -4 },
            { 31403, 10, -4 }
          },
          y {
            { 11807, 10, -4 },
            { -28987, 10, -4 },
            { 26561, 10, -4 },
            { 14521, 10, -4 },
            { 699, 10, -3 },
            { 23161, 10, -4 },
            { 1041, 10, -3 },
            { 1013, 10, -4 },
            { 10759, 10, -4 },
            { 20404, 10, -4 },
            { 1487, 10, -3 },
            { 19589, 10, -4 },
            { -3987, 10, -4 },
            { 228, 10, -3 },
            { -3987, 10, -4 },
            { -13987, 10, -4 },
            { 19938, 10, -4 },
            { 2628, 10, -4 },
            { -13987, 10, -4 },
            { -18987, 10, -4 },
            { 11457, 10, -4 },
            { 103, 10, -3 },
            { 28987, 10, -4 },
            { -887, 10, -4 },
            { 24847, 10, -4 },
            { -887, 10, -4 },
            { -3195, 10, -4 },
            { -17087, 10, -4 },
            { 25412, 10, -4 },
            { -17087, 10, -4 },
            { -2629, 10, -4 }
          },
          style {
            annotation {
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic
            },
            aid1 {
              8,
              8,
              9,
              9,
              12,
              13,
              14,
              15,
              16,
              17,
              18,
              19
            },
            aid2 {
              13,
              15,
              12,
              14,
              17,
              16,
              18,
              19,
              20,
              21,
              21,
              20
            }
          }
        }
      }
    }
  },
  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 { 405, 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 2
    },
    {
      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 2
    },
    {
      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 '00000371C0733000060000000000000000000000000160000000306000
000000000000014000001E02100000000C8A819820310082C00000880221521000820000200500
0888018006888860328197319420086885220888071888C08E8400000000000000080000000000
0000000000000000'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione"
    },
    {
      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 "5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "5,5-bis(4-chlorophenyl)hydantoin"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "InChI=1S/C15H10Cl2N2O2/c16-11-5-1-9(2-6-11)15(13(20)18-14(21
)19-15)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,20,21)/i13-1"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "QUIIKRQNYWCNAM-HSGWXFLFSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2011.09.13"
      },
      value fval { 37, 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 { 319023367, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value sval "C15H10Cl2N2O2"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 320158834, 10, -6 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "C1=CC(=CC=C1C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)Cl)Cl"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "C1=CC(=CC=C1C2([11C](=O)NC(=O)N2)C3=CC=C(C=C3)Cl)Cl"
    },
    {
      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 { 582, 10, -1 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 319023367, 10, -6 }
    }
  },
  count {
    heavy-atom 21,
    atom-chiral 0,
    atom-chiral-def 0,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 1,
    covalent-unit 1,
    tautomers 5
  }
}