PC-Compound ::= {
  id {
    id cid 45263220
  },
  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
    },
    element {
      cl,
      o,
      o,
      o,
      o,
      n,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      2,
      2,
      3,
      3,
      4,
      4,
      5,
      5,
      6,
      6,
      6,
      7,
      7,
      7,
      8,
      8,
      9,
      9,
      10,
      11,
      11
    },
    aid2 {
      23,
      7,
      19,
      8,
      20,
      9,
      21,
      10,
      22,
      10,
      11,
      18,
      8,
      9,
      12,
      10,
      13,
      11,
      14,
      15,
      16,
      17
    },
    order {
      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 7,
      above 2,
      top 8,
      bottom 9,
      below 12,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 8,
      above 3,
      top 7,
      bottom 10,
      below 13,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 9,
      above 4,
      top 7,
      bottom 11,
      below 14,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 10,
      above 5,
      top 6,
      bottom 8,
      below 15,
      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
      },
      conformers {
        {
          x {
            { 15005, 10, -4 },
            { 2269, 10, -3 },
            { 4001, 10, -3 },
            { 5369, 10, -4 },
            { 4001, 10, -3 },
            { 2269, 10, -3 },
            { 2269, 10, -3 },
            { 3135, 10, -3 },
            { 1403, 10, -3 },
            { 3135, 10, -3 },
            { 1403, 10, -3 },
            { 28059, 10, -4 },
            { 3135, 10, -3 },
            { 1403, 10, -3 },
            { 3135, 10, -3 },
            { 11909, 10, -4 },
            { 7924, 10, -4 },
            { 2269, 10, -3 },
            { 1732, 10, -3 },
            { 4001, 10, -3 },
            { 0, 10, 0 },
            { 4001, 10, -3 },
            { 25005, 10, -4 }
          },
          y {
            { 0, 10, 0 },
            { 281, 10, -2 },
            { 381, 10, -2 },
            { 381, 10, -2 },
            { 581, 10, -2 },
            { 581, 10, -2 },
            { 381, 10, -2 },
            { 431, 10, -2 },
            { 431, 10, -2 },
            { 531, 10, -2 },
            { 531, 10, -2 },
            { 35, 10, -1 },
            { 369, 10, -2 },
            { 369, 10, -2 },
            { 593, 10, -2 },
            { 58926, 10, -4 },
            { 52023, 10, -4 },
            { 643, 10, -2 },
            { 25, 10, -1 },
            { 319, 10, -2 },
            { 412, 10, -2 },
            { 643, 10, -2 },
            { 0, 10, 0 }
          },
          style {
            annotation {
              wavy,
              wavy,
              wavy,
              wavy
            },
            aid1 {
              7,
              8,
              9,
              10
            },
            aid2 {
              2,
              3,
              4,
              5
            }
          }
        }
      }
    }
  },
  charge 0,
  props {
    {
      urn {
        label "Compound",
        name "Canonicalized",
        datatype uint,
        release "2010.04.19"
      },
      value ival 1
    },
    {
      urn {
        label "Compound Complexity",
        datatype double,
        implementation "E_COMPLEXITY",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value fval { 12, 10, 1 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 5
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 6
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 0
    },
    {
      urn {
        label "Fingerprint",
        name "SubStructure Keys",
        datatype fingerprint,
        parameters "extended 2",
        implementation "E_SCREEN",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value binary '00000371C06238000400000000000000000000000000000000002C0000
000000000000000000001E00100800000814E18006000002C00200000000000000000000000000
000080080001031002008000044000071000910000F01000000000000000000000000000000000
0000000000000000'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "piperidine-2,3,4,5-tetrol;hydrochloride"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "piperidine-2,3,4,5-tetrol;hydrochloride"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "piperidine-2,3,4,5-tetrol;hydrochloride"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "piperidine-2,3,4,5-tetrol;hydrochloride"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "piperidine-2,3,4,5-tetrol;hydrochloride"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "InChI=1S/C5H11NO4.ClH/c7-2-1-6-5(10)4(9)3(2)8;/h2-10H,1H2;1H"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "AEPDZTJJMIHYMG-UHFFFAOYSA-N"
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 185045486, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value sval "C5H12ClNO4"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 18560608, 10, -5 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "C1C(C(C(C(N1)O)O)O)O.Cl"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "C1C(C(C(C(N1)O)O)O)O.Cl"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value fval { 93, 10, 0 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 185045486, 10, -6 }
    }
  },
  count {
    heavy-atom 11,
    atom-chiral 4,
    atom-chiral-def 0,
    atom-chiral-undef 4,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 2,
    tautomers 1
  }
}