PC-Compound ::= {
  id {
    id cid 10805887
  },
  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
    },
    element {
      p,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      1,
      1,
      1,
      2,
      2,
      3,
      4,
      4,
      5,
      5,
      6,
      7,
      8,
      10,
      11,
      11,
      11,
      12,
      12,
      12,
      13,
      13,
      13,
      14,
      14,
      15,
      16,
      16,
      17,
      17,
      19,
      19,
      20,
      20
    },
    aid2 {
      3,
      6,
      7,
      9,
      15,
      16,
      13,
      14,
      28,
      17,
      30,
      33,
      34,
      18,
      21,
      15,
      18,
      19,
      18,
      21,
      31,
      14,
      15,
      22,
      16,
      23,
      24,
      17,
      25,
      26,
      27,
      20,
      29,
      21,
      32
    },
    order {
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 13,
      above 3,
      top 15,
      bottom 14,
      below 22,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 14,
      above 4,
      top 16,
      bottom 13,
      below 23,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 15,
      above 2,
      top 11,
      bottom 13,
      below 24,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 16,
      above 2,
      top 14,
      bottom 17,
      below 25,
      parity clockwise,
      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
      },
      conformers {
        {
          x {
            { 33328, 10, -4 },
            { 6645, 10, -3 },
            { 40759, 10, -4 },
            { 47482, 10, -4 },
            { 79183, 10, -4 },
            { 25896, 10, -4 },
            { 26637, 10, -4 },
            { 4104, 10, -3 },
            { 40019, 10, -4 },
            { 5836, 10, -3 },
            { 5836, 10, -3 },
            { 497, 10, -2 },
            { 5027, 10, -3 },
            { 5336, 10, -3 },
            { 5836, 10, -3 },
            { 6336, 10, -3 },
            { 69238, 10, -4 },
            { 497, 10, -2 },
            { 6702, 10, -3 },
            { 6702, 10, -3 },
            { 5836, 10, -3 },
            { 45886, 10, -4 },
            { 47236, 10, -4 },
            { 52836, 10, -4 },
            { 69484, 10, -4 },
            { 63666, 10, -4 },
            { 70947, 10, -4 },
            { 50004, 10, -4 },
            { 7239, 10, -3 },
            { 82828, 10, -4 },
            { 44331, 10, -4 },
            { 7239, 10, -3 },
            { 2, 10, 0 },
            { 20572, 10, -4 }
          },
          y {
            { -14908, 10, -4 },
            { -11307, 10, -4 },
            { -8216, 10, -4 },
            { -28907, 10, -4 },
            { -27862, 10, -4 },
            { -21599, 10, -4 },
            { -7476, 10, -4 },
            { 4571, 10, -4 },
            { -22339, 10, -4 },
            { 34571, 10, -4 },
            { 4571, 10, -4 },
            { 19571, 10, -4 },
            { -11307, 10, -4 },
            { -20817, 10, -4 },
            { -5429, 10, -4 },
            { -20817, 10, -4 },
            { -28907, 10, -4 },
            { 9571, 10, -4 },
            { 9571, 10, -4 },
            { 19571, 10, -4 },
            { 24571, 10, -4 },
            { -15691, 10, -4 },
            { -19847, 10, -4 },
            { -2614, 10, -4 },
            { -19847, 10, -4 },
            { -31625, 10, -4 },
            { -34867, 10, -4 },
            { -34571, 10, -4 },
            { 6471, 10, -4 },
            { -32878, 10, -4 },
            { 22671, 10, -4 },
            { 22671, 10, -4 },
            { -19683, 10, -4 },
            { -8765, 10, -4 }
          },
          style {
            annotation {
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              wedge-up,
              wedge-down,
              wedge-down,
              wedge-down,
              aromatic,
              aromatic
            },
            aid1 {
              11,
              11,
              12,
              12,
              13,
              14,
              15,
              16,
              19,
              20
            },
            aid2 {
              18,
              19,
              18,
              21,
              3,
              4,
              11,
              17,
              20,
              21
            }
          }
        }
      }
    }
  },
  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 "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value fval { 517, 10, 0 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value ival 9
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value ival 5
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value ival 4
    },
    {
      urn {
        label "Fingerprint",
        name "SubStructure Keys",
        datatype fingerprint,
        parameters "extended 2",
        implementation "E_SCREEN",
        version "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value binary '00000371C0733C02000000000000000000000000000120000000200000
000000000000000000001E00100820000814E18006010003C00710884021565080800000000200
0800000800408310020080000E40000F17221300C0F03002000000000000000000000000000000
0000000000000000'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydr
oxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "[(2R,3R,4S,5R)-2-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-5-(hydr
oxymethyl)-3-oxolanyl] dihydrogen phosphate"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydr
oxymethyl)oxolan-3-yl] dihydrogen phosphate"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "[(2R,3R,4S,5R)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-(h
ydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "[(2R,3R,4S,5R)-2-(2,4-diketopyrimidin-1-yl)-4-hydroxy-5-meth
ylol-tetrahydrofuran-3-yl] dihydrogen phosphate"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.02.08"
      },
      value sval "InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-
2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6+,7-,
8-/m1/s1"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.02.08"
      },
      value sval "HQIDPEYTETUCNF-PXBUCIJWSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2012.02.08"
      },
      value fval { -31, 10, -1 }
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.02.08"
      },
      value fval { 324035867, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.02.08"
      },
      value sval "C9H13N2O9P"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.02.08"
      },
      value fval { 324181282, 10, -6 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OP(=O)(O)O"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)OP(=O)(O)O"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.396",
        software "Cactvs",
        source "xemistry.com",
        release "2012.02.08"
      },
      value fval { 166, 10, 0 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.02.08"
      },
      value fval { 324035867, 10, -6 }
    }
  },
  count {
    heavy-atom 21,
    atom-chiral 4,
    atom-chiral-def 4,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 3
  }
}