PC-Compound ::= {
  id {
    id cid 59017055
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
      15,
      16
    },
    element {
      y,
      o,
      o,
      o,
      o,
      n,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h
    },
    charge {
      {
        aid 6,
        value -1
      }
    }
  },
  bonds {
    aid1 {
      1,
      2,
      2,
      3,
      3,
      4,
      5,
      6,
      6,
      7,
      7,
      7,
      8,
      8,
      8
    },
    aid2 {
      6,
      9,
      15,
      10,
      16,
      9,
      10,
      7,
      14,
      8,
      9,
      11,
      10,
      12,
      13
    },
    order {
      complex,
      single,
      single,
      single,
      single,
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 7,
      above 6,
      top 8,
      bottom 9,
      below 11,
      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
      },
      conformers {
        {
          x {
            { 4269, 10, -3 },
            { 68671, 10, -4 },
            { 25369, 10, -4 },
            { 6001, 10, -3 },
            { 3403, 10, -3 },
            { 5135, 10, -3 },
            { 5135, 10, -3 },
            { 4269, 10, -3 },
            { 6001, 10, -3 },
            { 3403, 10, -3 },
            { 5672, 10, -3 },
            { 46675, 10, -4 },
            { 38705, 10, -4 },
            { 5672, 10, -3 },
            { 7404, 10, -3 },
            { 2, 10, 0 }
          },
          y {
            { -15, 10, -1 },
            { 0, 10, 0 },
            { 5, 10, -1 },
            { 15, 10, -1 },
            { -1, 10, 0 },
            { -1, 10, 0 },
            { 0, 10, 0 },
            { 5, 10, -1 },
            { 5, 10, -1 },
            { 0, 10, 0 },
            { -31, 10, -2 },
            { 9749, 10, -4 },
            { 9749, 10, -4 },
            { -131, 10, -2 },
            { 31, 10, -2 },
            { 19, 10, -2 }
          },
          style {
            annotation {
              wavy
            },
            aid1 {
              7
            },
            aid2 {
              6
            }
          }
        }
      }
    }
  },
  charge -1,
  props {
    {
      urn {
        label "Compound",
        name "Canonicalized",
        datatype uint,
        release "2012.05.21"
      },
      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 { 137, 10, 0 }
    },
    {
      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 3
    },
    {
      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 3
    },
    {
      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 '0000037180623800000000000200000000000000000000000000000000
000000000000000000001E00100800000828C18004000800400200080000900800000000000000
000081800000020018000000004000061000000000430000000000000000000000000000000000
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 "1,2-dicarboxyethylazanide;yttrium"
    },
    {
      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 "1,2-dicarboxyethylazanide;yttrium"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "1,2-dicarboxyethylazanide;yttrium"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]azanide;
yttrium"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "1,2-dicarboxyethylazanide;yttrium"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "InChI=1S/C4H6NO4.Y/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8
,9);/q-1;"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "VATNHMZDKMMWFT-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 { 220935531, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value sval "C4H6NO4Y-"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 22100059, 10, -5 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "C(C(C(=O)O)[NH-])C(=O)O.[Y]"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "C(C(C(=O)O)[NH-])C(=O)O.[Y]"
    },
    {
      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 { 756, 10, -1 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 220935531, 10, -6 }
    }
  },
  count {
    heavy-atom 10,
    atom-chiral 1,
    atom-chiral-def 0,
    atom-chiral-undef 1,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 2,
    tautomers 1
  }
}