PC-Compounds ::= {
  {
    id {
      id cid 24867533
    },
    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,
        50,
        51,
        52,
        53,
        54,
        55,
        56,
        57,
        58,
        59,
        60,
        61,
        62,
        63,
        64,
        65,
        66,
        67,
        68,
        69,
        70,
        71
      },
      element {
        ru,
        ru,
        ru,
        cl,
        cl,
        cl,
        cl,
        cl,
        cl,
        o,
        o,
        n,
        n,
        n,
        n,
        n,
        n,
        n,
        n,
        n,
        n,
        n,
        n,
        n,
        n,
        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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 4,
          value -1
        },
        {
          aid 5,
          value -1
        },
        {
          aid 6,
          value -1
        },
        {
          aid 7,
          value -1
        },
        {
          aid 8,
          value -1
        },
        {
          aid 9,
          value -1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        1,
        1,
        2,
        2,
        2,
        2,
        2,
        2,
        3,
        3,
        3,
        3,
        3,
        3,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        17,
        18,
        18,
        18,
        19,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        24,
        25,
        25,
        25
      },
      aid2 {
        10,
        11,
        12,
        13,
        14,
        15,
        10,
        16,
        17,
        18,
        19,
        20,
        11,
        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,
        50,
        51,
        52,
        53,
        54,
        55,
        56,
        57,
        58,
        59,
        60,
        61,
        62,
        63,
        64,
        65,
        66,
        67,
        68,
        69,
        70,
        71
      },
      order {
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        complex,
        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
      }
    },
    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,
          50,
          51,
          52,
          53,
          54,
          55,
          56,
          57,
          58,
          59,
          60,
          61,
          62,
          63,
          64,
          65,
          66,
          67,
          68,
          69,
          70,
          71
        },
        conformers {
          {
            x {
              { 31043, 10, -4 },
              { 49837, 10, -4 },
              { 15954, 10, -4 },
              { 84323, 10, -4 },
              { 84323, 10, -4 },
              { 84323, 10, -4 },
              { 84323, 10, -4 },
              { 84323, 10, -4 },
              { 109323, 10, -4 },
              { 4044, 10, -3 },
              { 24615, 10, -4 },
              { 23382, 10, -4 },
              { 3278, 10, -3 },
              { 31043, 10, -4 },
              { 40891, 10, -4 },
              { 57497, 10, -4 },
              { 51573, 10, -4 },
              { 58497, 10, -4 },
              { 44837, 10, -4 },
              { 51573, 10, -4 },
              { 6106, 10, -4 },
              { 6106, 10, -4 },
              { 14219, 10, -4 },
              { 23616, 10, -4 },
              { 14218, 10, -4 },
              { 3734, 10, -3 },
              { 36455, 10, -4 },
              { 30441, 10, -4 },
              { 18508, 10, -4 },
              { 18633, 10, -4 },
              { 17277, 10, -4 },
              { 23382, 10, -4 },
              { 3588, 10, -3 },
              { 3066, 10, -3 },
              { 38606, 10, -4 },
              { 27943, 10, -4 },
              { 27942, 10, -4 },
              { 33164, 10, -4 },
              { 4626, 10, -3 },
              { 41969, 10, -4 },
              { 4626, 10, -3 },
              { 62867, 10, -4 },
              { 58574, 10, -4 },
              { 63323, 10, -4 },
              { 5265, 10, -3 },
              { 53694, 10, -4 },
              { 47588, 10, -4 },
              { 64323, 10, -4 },
              { 63866, 10, -4 },
              { 59574, 10, -4 },
              { 38732, 10, -4 },
              { 41738, 10, -4 },
              { 46958, 10, -4 },
              { 53694, 10, -4 },
              { 54674, 10, -4 },
              { 49451, 10, -4 },
              { 279, 10, -4 },
              { 10093, 10, -4 },
              { 3985, 10, -4 },
              { 0, 10, 0 },
              { 10092, 10, -4 },
              { 3006, 10, -4 },
              { 12099, 10, -4 },
              { 8392, 10, -4 },
              { 17318, 10, -4 },
              { 2254, 10, -3 },
              { 28364, 10, -4 },
              { 23616, 10, -4 },
              { 20044, 10, -4 },
              { 11118, 10, -4 },
              { 8113, 10, -4 }
            },
            y {
              { 5527, 10, -3 },
              { 62111, 10, -4 },
              { 42611, 10, -4 },
              { 0, 10, 0 },
              { 25, 10, -1 },
              { 5, 10, 0 },
              { 75, 10, -1 },
              { 1, 10, 1 },
              { 5, 10, 0 },
              { 58691, 10, -4 },
              { 4761, 10, -3 },
              { 61698, 10, -4 },
              { 45422, 10, -4 },
              { 6527, 10, -3 },
              { 53534, 10, -4 },
              { 68539, 10, -4 },
              { 71959, 10, -4 },
              { 57111, 10, -4 },
              { 70771, 10, -4 },
              { 52263, 10, -4 },
              { 40876, 10, -4 },
              { 44349, 10, -4 },
              { 32762, 10, -4 },
              { 36182, 10, -4 },
              { 5246, 10, -3 },
              { 6406, 10, -3 },
              { 53941, 10, -4 },
              { 4973, 10, -3 },
              { 48688, 10, -4 },
              { 65684, 10, -4 },
              { 60621, 10, -4 },
              { 67897, 10, -4 },
              { 40053, 10, -4 },
              { 39596, 10, -4 },
              { 43302, 10, -4 },
              { 7064, 10, -3 },
              { 59902, 10, -4 },
              { 71096, 10, -4 },
              { 50434, 10, -4 },
              { 47428, 10, -4 },
              { 56634, 10, -4 },
              { 71639, 10, -4 },
              { 74644, 10, -4 },
              { 66418, 10, -4 },
              { 78065, 10, -4 },
              { 66133, 10, -4 },
              { 67209, 10, -4 },
              { 5499, 10, -3 },
              { 60211, 10, -4 },
              { 51005, 10, -4 },
              { 71849, 10, -4 },
              { 76141, 10, -4 },
              { 76598, 10, -4 },
              { 58089, 10, -4 },
              { 46894, 10, -4 },
              { 46437, 10, -4 },
              { 38757, 10, -4 },
              { 45626, 10, -4 },
              { 3505, 10, -3 },
              { 45426, 10, -4 },
              { 396, 10, -2 },
              { 49718, 10, -4 },
              { 26935, 10, -4 },
              { 30642, 10, -4 },
              { 27394, 10, -4 },
              { 42287, 10, -4 },
              { 32197, 10, -4 },
              { 29982, 10, -4 },
              { 5458, 10, -3 },
              { 57829, 10, -4 },
              { 53538, 10, -4 }
            }
          }
        }
      }
    },
    charge -6,
    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 { 207, 10, -1 }
      },
      {
        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 22
      },
      {
        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 16
      },
      {
        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 '00000371F003F0000700000000200000000000000000000000000000
000000000000000000000000001008000000000000000000000000000000000000000000000000
000000000000000000000000000000000000000000000000000000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "ammonia;ruthenium;hexachloride;dihydrate"
      },
      {
        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 "ammonia;ruthenium;hexachloride;dihydrate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "azane;ruthenium;hexachloride;dihydrate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "azane;ruthenium;hexachloride;dihydrate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "azane;ruthenium;hexachloride;dihydrate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "ammonia;ruthenium;hexachloride;dihydrate"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/6ClH.14H3N.2H2O.3Ru/h6*1H;14*1H3;2*1H2;;;/p-6"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "SDLCBYHDVJPIMV-UHFFFAOYSA-H"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "792.91832"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "Cl6H46N14O2Ru3-6"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "790.4"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[C
l-].[Cl-].[Ru].[Ru].[Ru]"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[C
l-].[Cl-].[Ru].[Ru].[Ru]"
      },
      {
        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 { 16, 10, 0 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "789.91895"
      }
    },
    count {
      heavy-atom 25,
      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 25,
      tautomers -1
    }
  }
}