PC-Compound ::= {
  id {
    id cid 38258
  },
  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,
      34,
      35,
      36,
      37,
      38,
      39,
      40,
      41,
      42,
      43
    },
    element {
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      n,
      n,
      n,
      n,
      n,
      n,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      2,
      3,
      3,
      4,
      4,
      5,
      6,
      7,
      8,
      9,
      9,
      9,
      10,
      10,
      10,
      11,
      11,
      11,
      12,
      12,
      12,
      13,
      13,
      13,
      14,
      14,
      14,
      15,
      15,
      15,
      16,
      16,
      16,
      17,
      17,
      18,
      18,
      23,
      23,
      24,
      24,
      27,
      27
    },
    aid2 {
      19,
      20,
      23,
      42,
      24,
      43,
      21,
      22,
      25,
      26,
      18,
      22,
      24,
      17,
      21,
      23,
      18,
      26,
      30,
      17,
      25,
      31,
      20,
      22,
      32,
      19,
      21,
      33,
      25,
      27,
      40,
      26,
      27,
      41,
      19,
      28,
      20,
      29,
      36,
      37,
      34,
      35,
      38,
      39
    },
    order {
      double,
      double,
      single,
      single,
      single,
      single,
      double,
      double,
      double,
      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,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 17,
      above 10,
      top 12,
      bottom 19,
      below 28,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 18,
      above 9,
      top 11,
      bottom 20,
      below 29,
      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,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43
      },
      conformers {
        {
          x {
            { 75413, 10, -4 },
            { 48479, 10, -4 },
            { 118506, 10, -4 },
            { 2894, 10, -3 },
            { 107571, 10, -4 },
            { 2, 10, 0 },
            { 73028, 10, -4 },
            { 49849, 10, -4 },
            { 37601, 10, -4 },
            { 101185, 10, -4 },
            { 55202, 10, -4 },
            { 8997, 10, -3 },
            { 32601, 10, -4 },
            { 90358, 10, -4 },
            { 78381, 10, -4 },
            { 66791, 10, -4 },
            { 9205, 10, -3 },
            { 45691, 10, -4 },
            { 85358, 10, -4 },
            { 42601, 10, -4 },
            { 10014, 10, -3 },
            { 29511, 10, -4 },
            { 109845, 10, -4 },
            { 37601, 10, -4 },
            { 8046, 10, -3 },
            { 57281, 10, -4 },
            { 6887, 10, -3 },
            { 86061, 10, -4 },
            { 46661, 10, -4 },
            { 59809, 10, -4 },
            { 94578, 10, -4 },
            { 28956, 10, -4 },
            { 87837, 10, -4 },
            { 39721, 10, -4 },
            { 43707, 10, -4 },
            { 113831, 10, -4 },
            { 10586, 10, -3 },
            { 62674, 10, -4 },
            { 68007, 10, -4 },
            { 82988, 10, -4 },
            { 71399, 10, -4 },
            { 123875, 10, -4 },
            { 2894, 10, -3 }
          },
          y {
            { -30052, 10, -4 },
            { 45422, 10, -4 },
            { -27733, 10, -4 },
            { 6943, 10, -4 },
            { -4437, 10, -3 },
            { 24731, 10, -4 },
            { -17486, 10, -4 },
            { 8258, 10, -4 },
            { 21943, 10, -4 },
            { -27733, 10, -4 },
            { 24731, 10, -4 },
            { -13884, 10, -4 },
            { 37331, 10, -4 },
            { -39758, 10, -4 },
            { -1013, 10, -4 },
            { 11859, 10, -4 },
            { -23666, 10, -4 },
            { 27821, 10, -4 },
            { -31097, 10, -4 },
            { 37331, 10, -4 },
            { -37678, 10, -4 },
            { 27821, 10, -4 },
            { -22733, 10, -4 },
            { 11943, 10, -4 },
            { -10794, 10, -4 },
            { 14949, 10, -4 },
            { 2077, 10, -4 },
            { -22061, 10, -4 },
            { 21697, 10, -4 },
            { 28879, 10, -4 },
            { -9736, 10, -4 },
            { 42347, 10, -4 },
            { -45422, 10, -4 },
            { 6117, 10, -4 },
            { 1302, 10, -3 },
            { -17984, 10, -4 },
            { -17984, 10, -4 },
            { 1861, 10, -4 },
            { -4062, 10, -4 },
            { 3136, 10, -4 },
            { 16008, 10, -4 },
            { -24633, 10, -4 },
            { 743, 10, -4 }
          },
          style {
            annotation {
              wavy,
              wavy
            },
            aid1 {
              17,
              18
            },
            aid2 {
              12,
              11
            }
          }
        }
      }
    }
  },
  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 { 627, 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 8
    },
    {
      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 8
    },
    {
      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 6
    },
    {
      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 '00000371E073FC00000000000000000000000000000162C00000000000
000000000000000000001E00100800000000C18006010003C00200080001101000000000000000
000080880000805000000020100000081722000000000000000000000000000000000000000000
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-[3-(hydroxymethyl)-2,5-dioxo-imidazolidin-4-yl]-3-[[[3-(hy
droxymethyl)-2,5-dioxo-imidazolidin-4-yl]carbamoylamino]methyl]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-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-3-[[[[[3-(h
ydroxymethyl)-2,5-dioxo-4-imidazolidinyl]amino]-oxomethyl]amino]methyl]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-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-3-[[[3-(hyd
roxymethyl)-2,5-dioxoimidazolidin-4-yl]carbamoylamino]methyl]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-[3-(hydroxymethyl)-2,5-bis(oxidanylidene)imidazolidin-4-yl
]-3-[[[3-(hydroxymethyl)-2,5-bis(oxidanylidene)imidazolidin-4-yl]carbamoylamin
o]methyl]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-3-methylol-imidazolidin-4-yl)-3-[[(2,5-diketo-
3-methylol-imidazolidin-4-yl)carbamoylamino]methyl]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/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1
-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15
,25)(H,16,22,26)(H,17,23,27)"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "ZCTXEAQXZGPWFG-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 { -34, 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 { 38810911, 10, -5 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value sval "C11H16N8O8"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 38829354, 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)NC1C(=O)NC(=O)N1CO)NC(=O)NC2C(=O)NC(=O)N2CO"
    },
    {
      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)NC1C(=O)NC(=O)N1CO)NC(=O)NC2C(=O)NC(=O)N2CO"
    },
    {
      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 { 222, 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 { 38810911, 10, -5 }
    }
  },
  count {
    heavy-atom 27,
    atom-chiral 2,
    atom-chiral-def 0,
    atom-chiral-undef 2,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 120
  }
}