PC-Compound ::= {
  id {
    id cid 208
  },
  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
    },
    element {
      p,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      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,
      3,
      4,
      4,
      5,
      5,
      6,
      6,
      7,
      8,
      9,
      11,
      11,
      11,
      12,
      12,
      13,
      13,
      14,
      14,
      15,
      16,
      16
    },
    aid2 {
      7,
      8,
      9,
      10,
      13,
      15,
      11,
      24,
      12,
      25,
      14,
      26,
      15,
      27,
      16,
      29,
      28,
      12,
      13,
      17,
      14,
      18,
      16,
      19,
      15,
      20,
      21,
      22,
      23
    },
    order {
      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,
      single
    }
  },
  stereo {
    tetrahedral {
      center 11,
      above 3,
      top 12,
      bottom 13,
      below 17,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 12,
      above 4,
      top 11,
      bottom 14,
      below 18,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 13,
      above 2,
      top 11,
      bottom 16,
      below 19,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 14,
      above 5,
      top 12,
      bottom 15,
      below 20,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 15,
      above 2,
      top 6,
      bottom 14,
      below 21,
      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
      },
      conformers {
        {
          x {
            { 68671, 10, -4 },
            { 4269, 10, -3 },
            { 6001, 10, -3 },
            { 4269, 10, -3 },
            { 25369, 10, -4 },
            { 25369, 10, -4 },
            { 6001, 10, -3 },
            { 77331, 10, -4 },
            { 63671, 10, -4 },
            { 73671, 10, -4 },
            { 5135, 10, -3 },
            { 4269, 10, -3 },
            { 5135, 10, -3 },
            { 3403, 10, -3 },
            { 3403, 10, -3 },
            { 6001, 10, -3 },
            { 5135, 10, -3 },
            { 48059, 10, -4 },
            { 5135, 10, -3 },
            { 3403, 10, -3 },
            { 3403, 10, -3 },
            { 62131, 10, -4 },
            { 66116, 10, -4 },
            { 6538, 10, -3 },
            { 3732, 10, -3 },
            { 2, 10, 0 },
            { 25369, 10, -4 },
            { 57471, 10, -4 },
            { 77331, 10, -4 }
          },
          y {
            { 1845, 10, -3 },
            { 345, 10, -3 },
            { -1655, 10, -3 },
            { -2655, 10, -3 },
            { -1655, 10, -3 },
            { 345, 10, -3 },
            { 1345, 10, -3 },
            { 2345, 10, -3 },
            { 2711, 10, -3 },
            { 979, 10, -3 },
            { -1155, 10, -3 },
            { -1655, 10, -3 },
            { -155, 10, -3 },
            { -1155, 10, -3 },
            { -155, 10, -3 },
            { 345, 10, -3 },
            { -1775, 10, -3 },
            { -1965, 10, -3 },
            { 465, 10, -3 },
            { -1775, 10, -3 },
            { 465, 10, -3 },
            { -2376, 10, -4 },
            { 4527, 10, -4 },
            { -1345, 10, -3 },
            { -2965, 10, -3 },
            { -1345, 10, -3 },
            { 965, 10, -3 },
            { 2711, 10, -3 },
            { 2965, 10, -3 }
          },
          style {
            annotation {
              wavy,
              wavy,
              wavy,
              wavy,
              wavy
            },
            aid1 {
              11,
              12,
              13,
              14,
              15
            },
            aid2 {
              3,
              4,
              16,
              5,
              6
            }
          }
        }
      }
    }
  },
  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 { 277, 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 6
    },
    {
      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 3
    },
    {
      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 '00000371C0603C02000000000000000000000000000000000000240000
000000000000000000001A00000820000814B08003000800000710004000000080000000000000
000000000000111002000000024000050000070001C06004000000000000000000000000000000
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 "(3,4,5,6-tetrahydroxytetrahydropyran-2-yl)methyl 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 "(3,4,5,6-tetrahydroxy-2-oxanyl)methyl 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 "(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 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 "[3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl 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 "(3,4,5,6-tetrahydroxytetrahydropyran-2-yl)methyl 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/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/
h2-10H,1H2,(H2,11,12,13)"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.02.08"
      },
      value sval "NBSCHQHZLSJFNQ-UHFFFAOYSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3-AA",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2012.02.08"
      },
      value fval { -42, 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 { 260029719, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.02.08"
      },
      value sval "C6H13O9P"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.02.08"
      },
      value fval { 260135782, 10, -6 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value sval "C(C1C(C(C(C(O1)O)O)O)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 "C(C1C(C(C(C(O1)O)O)O)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 { 157, 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 { 260029719, 10, -6 }
    }
  },
  count {
    heavy-atom 16,
    atom-chiral 5,
    atom-chiral-def 0,
    atom-chiral-undef 5,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}