PC-Compounds ::= {
  {
    id {
      id cid 71587471
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18
      },
      element {
        si,
        si,
        si,
        al,
        al,
        mg,
        mg,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o
      },
      charge {
        {
          aid 4,
          value 3
        },
        {
          aid 5,
          value 3
        },
        {
          aid 6,
          value 2
        },
        {
          aid 7,
          value 2
        },
        {
          aid 8,
          value -1
        },
        {
          aid 9,
          value -1
        },
        {
          aid 10,
          value -1
        },
        {
          aid 11,
          value -1
        },
        {
          aid 12,
          value -1
        },
        {
          aid 13,
          value -1
        },
        {
          aid 17,
          value -2
        },
        {
          aid 18,
          value -2
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        2,
        2,
        2,
        3,
        3,
        3
      },
      aid2 {
        8,
        9,
        14,
        10,
        11,
        15,
        12,
        13,
        16
      },
      order {
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        double
      }
    },
    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
        },
        conformers {
          {
            x {
              { 33801, 10, -4 },
              { 7071, 10, -4 },
              { 67262, 10, -4 },
              { 17071, 10, -4 },
              { 50532, 10, -4 },
              { 32836, 10, -4 },
              { 50157, 10, -4 },
              { 24142, 10, -4 },
              { 40872, 10, -4 },
              { 17071, 10, -4 },
              { 7071, 10, -4 },
              { 57603, 10, -4 },
              { 5312, 10, -3 },
              { 3639, 10, -3 },
              { 0, 10, 0 },
              { 74333, 10, -4 },
              { 41497, 10, -4 },
              { 24176, 10, -4 }
            },
            y {
              { 21554, 10, -4 },
              { 7071, 10, -4 },
              { 3052, 10, -3 },
              { 17071, 10, -4 },
              { 26037, 10, -4 },
              { 57591, 10, -4 },
              { 57591, 10, -4 },
              { 24142, 10, -4 },
              { 28625, 10, -4 },
              { 7071, 10, -4 },
              { 17071, 10, -4 },
              { 33108, 10, -4 },
              { 16378, 10, -4 },
              { 11895, 10, -4 },
              { 0, 10, 0 },
              { 37591, 10, -4 },
              { 62591, 10, -4 },
              { 62591, 10, -4 }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2021.10.14"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value fval { 188, 10, -1 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 11
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 0
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 0
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value binary '0000037100003C0C0000300000000000000000000000000000000000
000000000000000000000000000000400000000000000000000000000000000000000000000000
000000000000000000000000000000000000000000000000000000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "dialuminum;dimagnesium;dioxido(oxo)silane;oxygen(2-)"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "dialuminum;dimagnesium;dioxido(oxo)silane;oxygen(2-)"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "dialuminum;dimagnesium;dioxido(oxo)silane;oxygen(2-)"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "dialuminum;dimagnesium;dioxido(oxo)silane;oxygen(2-)"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "dialuminum;dimagnesium;bis(oxidanidyl)-oxidanylidene-silan
e;oxygen(2-)"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "dialuminum;dimagnesium;keto(dioxido)silane;oxygen(2-)"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "InChI=1S/2Al.2Mg.3O3Si.2O/c;;;;3*1-4(2)3;;/q2*+3;2*+2;5*-2"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "SKNQDXLPTQGFOW-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "361.808001"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "Al2Mg2O11Si3"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "362.82"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "[O-2].[O-2].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)
[O-].[Mg+2].[Mg+2].[Al+3].[Al+3]"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "[O-2].[O-2].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)
[O-].[Mg+2].[Mg+2].[Al+3].[Al+3]"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value fval { 192, 10, 0 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "361.808001"
      }
    },
    count {
      heavy-atom 18,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 9,
      tautomers -1
    }
  }
}