PC-Compounds ::= {
  {
    id {
      id cid 71587396
    },
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        2,
        3,
        4,
        5,
        6,
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        73,
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        81,
        82
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      element {
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        s,
        al,
        al,
        al,
        al,
        al,
        al,
        al,
        al,
        al,
        al,
        mg,
        mg,
        mg,
        mg,
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        o,
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        o,
        o,
        o,
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        o,
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        o,
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        o,
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        o,
        o,
        o,
        o,
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        o,
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        o,
        o,
        o,
        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 3,
          value 3
        },
        {
          aid 4,
          value 3
        },
        {
          aid 5,
          value 3
        },
        {
          aid 6,
          value 3
        },
        {
          aid 7,
          value 3
        },
        {
          aid 8,
          value 3
        },
        {
          aid 9,
          value 3
        },
        {
          aid 10,
          value 3
        },
        {
          aid 11,
          value 3
        },
        {
          aid 12,
          value 3
        },
        {
          aid 13,
          value 2
        },
        {
          aid 14,
          value 2
        },
        {
          aid 15,
          value 2
        },
        {
          aid 16,
          value 2
        },
        {
          aid 17,
          value 2
        },
        {
          aid 18,
          value -1
        },
        {
          aid 19,
          value -1
        },
        {
          aid 20,
          value -1
        },
        {
          aid 21,
          value -1
        },
        {
          aid 26,
          value -1
        },
        {
          aid 27,
          value -1
        },
        {
          aid 28,
          value -1
        },
        {
          aid 29,
          value -1
        },
        {
          aid 30,
          value -1
        },
        {
          aid 31,
          value -1
        },
        {
          aid 32,
          value -1
        },
        {
          aid 33,
          value -1
        },
        {
          aid 34,
          value -1
        },
        {
          aid 35,
          value -1
        },
        {
          aid 36,
          value -1
        },
        {
          aid 37,
          value -1
        },
        {
          aid 38,
          value -1
        },
        {
          aid 39,
          value -1
        },
        {
          aid 40,
          value -1
        },
        {
          aid 41,
          value -1
        },
        {
          aid 42,
          value -1
        },
        {
          aid 43,
          value -1
        },
        {
          aid 44,
          value -1
        },
        {
          aid 45,
          value -1
        },
        {
          aid 46,
          value -1
        },
        {
          aid 47,
          value -1
        },
        {
          aid 48,
          value -1
        },
        {
          aid 49,
          value -1
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        {
          aid 50,
          value -1
        },
        {
          aid 51,
          value -1
        },
        {
          aid 52,
          value -2
        },
        {
          aid 53,
          value -2
        },
        {
          aid 54,
          value -2
        },
        {
          aid 55,
          value -2
        },
        {
          aid 56,
          value -2
        }
      }
    },
    bonds {
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        1,
        1,
        1,
        1,
        2,
        2,
        2,
        2,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51
      },
      aid2 {
        18,
        19,
        22,
        23,
        20,
        21,
        24,
        25,
        57,
        58,
        59,
        60,
        61,
        62,
        63,
        64,
        65,
        66,
        67,
        68,
        69,
        70,
        71,
        72,
        73,
        74,
        75,
        76,
        77,
        78,
        79,
        80,
        81,
        82
      },
      order {
        single,
        single,
        double,
        double,
        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
      }
    },
    coords {
      {
        type {
          twod,
          computed,
          units-unknown
        },
        aid {
          1,
          2,
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          20,
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          26,
          27,
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          31,
          32,
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          34,
          35,
          36,
          37,
          38,
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          40,
          41,
          42,
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          71,
          72,
          73,
          74,
          75,
          76,
          77,
          78,
          79,
          80,
          81,
          82
        },
        conformers {
          {
            x {
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            },
            y {
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              { 562, 10, -2 },
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              { 412, 10, -2 },
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              { 110205, 10, -4 },
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              { 144209, 10, -4 },
              { 144209, 10, -4 },
              { 189209, 10, -4 },
              { 169209, 10, -4 },
              { 84004, 10, -4 },
              { 15, 10, -1 },
              { 0, 10, 0 },
              { 15, 10, -1 },
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              { 84004, 10, -4 },
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              { 107105, 10, -4 },
              { 107105, 10, -4 },
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            }
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        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2021.10.14"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
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          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value fval { 622, 10, -1 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
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          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 39
      },
      {
        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 26
      },
      {
        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 '00000371E0003E006000300000000000000000000000000000000000
000000000000000000000000000008000000000000000000000000000000000000300000000000
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 "decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;d
isulfate"
      },
      {
        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 "decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;d
isulfate"
      },
      {
        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 "decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;d
isulfate"
      },
      {
        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 "decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;d
isulfate"
      },
      {
        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 "decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;d
isulfate"
      },
      {
        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 "decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;d
isulfate"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "InChI=1S/10Al.5Mg.2H2O4S.26H2O.5O/c;;;;;;;;;;;;;;;2*1-5(2,
3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;2*(H2,1,2,3,4);26*1H2;;;;;/
q10*+3;5*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*-2/p-30"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "ADDMZVWMRQKLNE-UHFFFAOYSA-A"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "1103.689856"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "Al10H26Mg5O39S2"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "1105.7"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-
].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-
].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]S(=O)(=O)[O-].[O-]S(=O)(
=O)[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].
[Al+3].[Al+3].[Al+3].[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 "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-
].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-
].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]S(=O)(=O)[O-].[O-]S(=O)(
=O)[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].
[Al+3].[Al+3].[Al+3].[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 { 208, 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 "1103.689856"
      }
    },
    count {
      heavy-atom 56,
      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 48,
      tautomers -1
    }
  }
}