PC-Compound ::= {
  id {
    id cid 62277
  },
  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,
      32,
      33
    },
    element {
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      n,
      n,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      2,
      3,
      3,
      4,
      4,
      5,
      5,
      6,
      7,
      7,
      8,
      8,
      8,
      9,
      9,
      9,
      10,
      10,
      10,
      11,
      11,
      11,
      12,
      12,
      15,
      15,
      16,
      16,
      17,
      17,
      19,
      19
    },
    aid2 {
      13,
      14,
      15,
      28,
      16,
      29,
      17,
      30,
      18,
      19,
      33,
      12,
      14,
      15,
      12,
      16,
      18,
      13,
      14,
      17,
      18,
      19,
      27,
      13,
      20,
      21,
      22,
      23,
      24,
      25,
      26,
      31,
      32
    },
    order {
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 12,
      above 8,
      top 9,
      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,
        27,
        28,
        29,
        30,
        31,
        32,
        33
      },
      conformers {
        {
          x {
            { 55345, 10, -4 },
            { 26867, 10, -4 },
            { 35807, 10, -4 },
            { 7901, 10, -3 },
            { 23644, 10, -4 },
            { 56716, 10, -4 },
            { 85247, 10, -4 },
            { 44467, 10, -4 },
            { 62068, 10, -4 },
            { 39467, 10, -4 },
            { 73658, 10, -4 },
            { 52558, 10, -4 },
            { 49467, 10, -4 },
            { 36377, 10, -4 },
            { 44467, 10, -4 },
            { 695, 10, -2 },
            { 3359, 10, -3 },
            { 64147, 10, -4 },
            { 75737, 10, -4 },
            { 58568, 10, -4 },
            { 46588, 10, -4 },
            { 50573, 10, -4 },
            { 7241, 10, -3 },
            { 64614, 10, -4 },
            { 39162, 10, -4 },
            { 3188, 10, -3 },
            { 78265, 10, -4 },
            { 35807, 10, -4 },
            { 83618, 10, -4 },
            { 2, 10, 0 },
            { 69541, 10, -4 },
            { 74874, 10, -4 },
            { 86537, 10, -4 }
          },
          y {
            { 24264, 10, -4 },
            { 3573, 10, -4 },
            { -14215, 10, -4 },
            { 7174, 10, -4 },
            { 23219, 10, -4 },
            { -129, 10, -2 },
            { -2217, 10, -3 },
            { 785, 10, -4 },
            { 3573, 10, -4 },
            { 16174, 10, -4 },
            { -9299, 10, -4 },
            { 6663, 10, -4 },
            { 16174, 10, -4 },
            { 6663, 10, -4 },
            { -9215, 10, -4 },
            { 10264, 10, -4 },
            { 24264, 10, -4 },
            { -6208, 10, -4 },
            { -1908, 10, -3 },
            { 12674, 10, -4 },
            { -15041, 10, -4 },
            { -8138, 10, -4 },
            { 15739, 10, -4 },
            { 14082, 10, -4 },
            { 26982, 10, -4 },
            { 30224, 10, -4 },
            { -515, 10, -3 },
            { -20415, 10, -4 },
            { 11323, 10, -4 },
            { 28235, 10, -4 },
            { -19296, 10, -4 },
            { -2522, 10, -3 },
            { -28235, 10, -4 }
          },
          style {
            annotation {
              wavy
            },
            aid1 {
              12
            },
            aid2 {
              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 { 376, 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 7
    },
    {
      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 5
    },
    {
      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 5
    },
    {
      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 '00000371C073B800000000000000000000000000000160000000000000
000000000000000000001E00100800000000C18006010003C00200080001101000000000000000
000080880001805000000020100000080722000000000000000000000000000000000000000000
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 "1-[1,3-bis(hydroxymethyl)-2,5-dioxo-imidazolidin-4-yl]-1,3-b
is(hydroxymethyl)urea"
    },
    {
      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-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-1,3-bi
s(hydroxymethyl)urea"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bi
s(hydroxymethyl)urea"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "1-[1,3-bis(hydroxymethyl)-2,5-bis(oxidanylidene)imidazolidin
-4-yl]-1,3-bis(hydroxymethyl)urea"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "1-(2,5-diketo-1,3-dimethylol-imidazolidin-4-yl)-1,3-dimethyl
ol-urea"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)
11(5)3-15/h5,13-16H,1-4H2,(H,9,18)"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "SOROIESOUPGGFO-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 { -25, 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 { 278086249, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value sval "C8H14N4O7"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 27821936, 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(NC(=O)N(CO)C1C(=O)N(C(=O)N1CO)CO)O"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "C(NC(=O)N(CO)C1C(=O)N(C(=O)N1CO)CO)O"
    },
    {
      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 { 154, 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 { 278086249, 10, -6 }
    }
  },
  count {
    heavy-atom 19,
    atom-chiral 1,
    atom-chiral-def 0,
    atom-chiral-undef 1,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 4
  }
}