PC-Compounds ::= {
  {
    id {
      id cid 70637528
    },
    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,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49
      },
      element {
        mg,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 1,
          value 2
        },
        {
          aid 2,
          value -1
        },
        {
          aid 3,
          value -1
        }
      }
    },
    bonds {
      aid1 {
        2,
        3,
        4,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        8,
        8,
        9,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        21
      },
      aid2 {
        22,
        23,
        22,
        23,
        10,
        12,
        16,
        24,
        11,
        13,
        17,
        25,
        12,
        14,
        18,
        26,
        13,
        15,
        19,
        27,
        14,
        20,
        22,
        15,
        21,
        23,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        18,
        36,
        37,
        19,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49
      },
      order {
        single,
        single,
        double,
        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,
        single,
        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 10,
        top 12,
        bottom 16,
        below 24,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 11,
        top 13,
        bottom 17,
        below 25,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 12,
        top 14,
        bottom 18,
        below 26,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 13,
        top 15,
        bottom 19,
        below 27,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 6,
        top 14,
        bottom 20,
        below 22,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 7,
        top 15,
        bottom 21,
        below 23,
        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,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49
        },
        conformers {
          {
            x {
              { 7581, 10, -3 },
              { 67238, 10, -4 },
              { 84556, 10, -4 },
              { 58317, 10, -4 },
              { 92953, 10, -4 },
              { 36408, 10, -4 },
              { 115601, 10, -4 },
              { 34158, 10, -4 },
              { 118189, 10, -4 },
              { 4992, 10, -3 },
              { 101874, 10, -4 },
              { 41863, 10, -4 },
              { 110823, 10, -4 },
              { 53666, 10, -4 },
              { 98453, 10, -4 },
              { 2225, 10, -3 },
              { 12959, 10, -3 },
              { 2, 10, 0 },
              { 132178, 10, -4 },
              { 4767, 10, -3 },
              { 103782, 10, -4 },
              { 58492, 10, -4 },
              { 93127, 10, -4 },
              { 36011, 10, -4 },
              { 115781, 10, -4 },
              { 34082, 10, -4 },
              { 118049, 10, -4 },
              { 48023, 10, -4 },
              { 38873, 10, -4 },
              { 114001, 10, -4 },
              { 104691, 10, -4 },
              { 59449, 10, -4 },
              { 55813, 10, -4 },
              { 9651, 10, -3 },
              { 92596, 10, -4 },
              { 16251, 10, -4 },
              { 23992, 10, -4 },
              { 127641, 10, -4 },
              { 13553, 10, -3 },
              { 18257, 10, -4 },
              { 14002, 10, -4 },
              { 138118, 10, -4 },
              { 134128, 10, -4 },
              { 41629, 10, -4 },
              { 46276, 10, -4 },
              { 53712, 10, -4 },
              { 97696, 10, -4 },
              { 104965, 10, -4 },
              { 109868, 10, -4 }
            },
            y {
              { -10427, 10, -4 },
              { -5277, 10, -4 },
              { -5579, 10, -4 },
              { -20123, 10, -4 },
              { -20728, 10, -4 },
              { 1421, 10, -4 },
              { 39, 10, -4 },
              { 11165, 10, -4 },
              { 9698, 10, -4 },
              { -4975, 10, -4 },
              { -5881, 10, -4 },
              { 20728, 10, -4 },
              { 19524, 10, -4 },
              { 4297, 10, -4 },
              { 3516, 10, -4 },
              { -3176, 10, -4 },
              { -5049, 10, -4 },
              { 6568, 10, -4 },
              { 461, 10, -3 },
              { -14718, 10, -4 },
              { -15698, 10, -4 },
              { -10125, 10, -4 },
              { -1073, 10, -3 },
              { -4766, 10, -4 },
              { -6159, 10, -4 },
              { 4965, 10, -4 },
              { 35, 10, -2 },
              { 21433, 10, -4 },
              { 26159, 10, -4 },
              { 24848, 10, -4 },
              { 20444, 10, -4 },
              { 2062, 10, -4 },
              { 10114, 10, -4 },
              { 9403, 10, -4 },
              { 1484, 10, -4 },
              { -4745, 10, -4 },
              { -9126, 10, -4 },
              { -10935, 10, -4 },
              { -6827, 10, -4 },
              { 12518, 10, -4 },
              { 4999, 10, -4 },
              { 2832, 10, -4 },
              { 10496, 10, -4 },
              { -13324, 10, -4 },
              { -20759, 10, -4 },
              { -16113, 10, -4 },
              { -16881, 10, -4 },
              { -21784, 10, -4 },
              { -14515, 10, -4 }
            },
            style {
              annotation {
                wavy,
                wavy,
                wavy,
                wavy,
                wavy,
                wavy
              },
              aid1 {
                6,
                7,
                8,
                9,
                10,
                11
              },
              aid2 {
                16,
                17,
                18,
                19,
                20,
                21
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2019.01.04"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 194, 10, 0 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 4
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 0
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 0
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value binary '00000371E0783800000020000000000000000000000183060C003060
00000000000000000000001A00000000000F008080000208000000000800009008000000000000
0000000100000000001200000000000004000000000188C8F08F80000000000000000000040000
200001000008000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "magnesium;2-methylnorbornane-2-carboxylate"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "magnesium;2-methyl-2-bicyclo[2.2.1]heptanecarboxylate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "magnesium;2-methylbicyclo[2.2.1]heptane-2-carboxylate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "magnesium;2-methylbicyclo[2.2.1]heptane-2-carboxylate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "magnesium;2-methylbicyclo[2.2.1]heptane-2-carboxylate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "magnesium;2-methylnorbornane-2-carboxylate"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/2C9H14O2.Mg/c2*1-9(8(10)11)5-6-2-3-7(9)4-6;/h2*6-
7H,2-5H2,1H3,(H,10,11);/q;;+2/p-2"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "YUHBLLJLECBZDM-UHFFFAOYSA-L"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "330.1681510"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C18H26MgO4"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "330.7"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "CC1(CC2CCC1C2)C(=O)[O-].CC1(CC2CCC1C2)C(=O)[O-].[Mg+2]"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "CC1(CC2CCC1C2)C(=O)[O-].CC1(CC2CCC1C2)C(=O)[O-].[Mg+2]"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 803, 10, -1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "330.1681510"
      }
    },
    count {
      heavy-atom 23,
      atom-chiral 6,
      atom-chiral-def 0,
      atom-chiral-undef 6,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 3,
      tautomers -1
    }
  }
}