PC-Compound ::= {
  id {
    id cid 5779
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
      15,
      16,
      17,
      18,
      19,
      20
    },
    element {
      o,
      o,
      o,
      o,
      o,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      1,
      2,
      2,
      3,
      3,
      4,
      4,
      5,
      5,
      6,
      6,
      6,
      7,
      7,
      8,
      8,
      9,
      10,
      10
    },
    aid2 {
      7,
      9,
      6,
      17,
      8,
      18,
      9,
      19,
      10,
      20,
      7,
      8,
      11,
      10,
      12,
      9,
      13,
      14,
      15,
      16
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 6,
      above 2,
      top 8,
      bottom 7,
      below 11,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 7,
      above 1,
      top 6,
      bottom 10,
      below 12,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 8,
      above 3,
      top 9,
      bottom 6,
      below 13,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 9,
      above 1,
      top 4,
      bottom 8,
      below 14,
      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
      },
      conformers {
        {
          x {
            { 45576, 10, -4 },
            { 34699, 10, -4 },
            { 56454, 10, -4 },
            { 63177, 10, -4 },
            { 25896, 10, -4 },
            { 40576, 10, -4 },
            { 37486, 10, -4 },
            { 50576, 10, -4 },
            { 53667, 10, -4 },
            { 27976, 10, -4 },
            { 34453, 10, -4 },
            { 36516, 10, -4 },
            { 47762, 10, -4 },
            { 59677, 10, -4 },
            { 21779, 10, -4 },
            { 27113, 10, -4 },
            { 3722, 10, -3 },
            { 6262, 10, -3 },
            { 64466, 10, -4 },
            { 2, 10, 0 }
          },
          y {
            { 10116, 10, -4 },
            { -13362, 10, -4 },
            { -13362, 10, -4 },
            { 7329, 10, -4 },
            { 1711, 10, -3 },
            { -5272, 10, -4 },
            { 4239, 10, -4 },
            { -5272, 10, -4 },
            { 4239, 10, -4 },
            { 7329, 10, -4 },
            { -4302, 10, -4 },
            { 10362, 10, -4 },
            { -10796, 10, -4 },
            { -1772, 10, -4 },
            { 7112, 10, -4 },
            { 1189, 10, -4 },
            { -19026, 10, -4 },
            { -12714, 10, -4 },
            { 13393, 10, -4 },
            { 19026, 10, -4 }
          },
          style {
            annotation {
              wedge-down,
              wedge-up,
              wedge-down,
              wavy
            },
            aid1 {
              6,
              7,
              8,
              9
            },
            aid2 {
              2,
              10,
              3,
              14
            }
          }
        }
      }
    }
  },
  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 { 117, 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 5
    },
    {
      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 4
    },
    {
      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 1
    },
    {
      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 '00000371C0603800000000000000000000000000000120000000000000
000000000000000000001A00000800000814B08003000800000600000000000000000000000000
000000000000111002000000024000050000070000C02000000000000000000000000000000000
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 "(3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol"
    },
    {
      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 "(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "(3R,4S,5R)-5-methyloltetrahydrofuran-2,3,4-triol"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-
,5?/m1/s1"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "HMFHBZSHGGEWLO-SOOFDHNKSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3-AA",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2011.09.13"
      },
      value fval { -2, 10, 0 }
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 150052823, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value sval "C5H10O5"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 1501299, 10, -4 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "C(C1C(C(C(O1)O)O)O)O"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "C([C@@H]1[C@H]([C@H](C(O1)O)O)O)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 { 902, 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 { 150052823, 10, -6 }
    }
  },
  count {
    heavy-atom 10,
    atom-chiral 4,
    atom-chiral-def 3,
    atom-chiral-undef 1,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}