PC-Compounds ::= {
  {
    id {
      id cid 6327657
    },
    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
      },
      element {
        sn,
        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
      },
      radical {
        {
          aid 1,
          type doublet
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        19,
        20
      },
      aid2 {
        2,
        3,
        4,
        5,
        21,
        22,
        6,
        9,
        7,
        10,
        8,
        11,
        12,
        23,
        13,
        24,
        14,
        25,
        15,
        26,
        16,
        27,
        17,
        28,
        18,
        29,
        19,
        30,
        20,
        31,
        18,
        32,
        19,
        33,
        20,
        34,
        35,
        36,
        37
      },
      order {
        complex,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        double,
        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
        },
        conformers {
          {
            x {
              { 34749, 10, -4 },
              { 24749, 10, -4 },
              { 29749, 10, -4 },
              { 44749, 10, -4 },
              { 33013, 10, -4 },
              { 21089, 10, -4 },
              { 49749, 10, -4 },
              { 40673, 10, -4 },
              { 38409, 10, -4 },
              { 49749, 10, -4 },
              { 23616, 10, -4 },
              { 21089, 10, -4 },
              { 59749, 10, -4 },
              { 38937, 10, -4 },
              { 38409, 10, -4 },
              { 59749, 10, -4 },
              { 21879, 10, -4 },
              { 29749, 10, -4 },
              { 64749, 10, -4 },
              { 2954, 10, -3 },
              { 21649, 10, -4 },
              { 2, 10, 0 },
              { 1572, 10, -3 },
              { 46649, 10, -4 },
              { 46499, 10, -4 },
              { 43779, 10, -4 },
              { 46649, 10, -4 },
              { 18867, 10, -4 },
              { 1572, 10, -3 },
              { 62849, 10, -4 },
              { 43686, 10, -4 },
              { 43779, 10, -4 },
              { 62849, 10, -4 },
              { 16053, 10, -4 },
              { 29749, 10, -4 },
              { 70949, 10, -4 },
              { 28463, 10, -4 }
            },
            y {
              { -442, 10, -4 },
              { -442, 10, -4 },
              { -9102, 10, -4 },
              { -442, 10, -4 },
              { 9406, 10, -4 },
              { -14102, 10, -4 },
              { 8218, 10, -4 },
              { 15834, 10, -4 },
              { -14102, 10, -4 },
              { -9102, 10, -4 },
              { 12827, 10, -4 },
              { -24102, 10, -4 },
              { 8218, 10, -4 },
              { 25682, 10, -4 },
              { -24102, 10, -4 },
              { -9102, 10, -4 },
              { 22674, 10, -4 },
              { -29102, 10, -4 },
              { -442, 10, -4 },
              { 29102, 10, -4 },
              { 4927, 10, -4 },
              { -4426, 10, -4 },
              { -11002, 10, -4 },
              { 13588, 10, -4 },
              { 13713, 10, -4 },
              { -11002, 10, -4 },
              { -14472, 10, -4 },
              { 8842, 10, -4 },
              { -27202, 10, -4 },
              { 13588, 10, -4 },
              { 29667, 10, -4 },
              { -27202, 10, -4 },
              { -14472, 10, -4 },
              { 24795, 10, -4 },
              { -35302, 10, -4 },
              { -442, 10, -4 },
              { 35208, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                3,
                3,
                4,
                4,
                5,
                5,
                6,
                7,
                8,
                9,
                10,
                11,
                12,
                13,
                14,
                15,
                16,
                17
              },
              aid2 {
                6,
                9,
                7,
                10,
                8,
                11,
                12,
                13,
                14,
                15,
                16,
                17,
                18,
                19,
                20,
                18,
                19,
                20
              }
            }
          }
        }
      }
    },
    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 { 207, 10, 0 }
      },
      {
        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 1
      },
      {
        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 1
      },
      {
        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 3
      },
      {
        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 '00000371E07820000000000000008000000000000000000000003060
C00000000000000150000018000008000008008010003000800000008000204200000200002000
000888000000880820228011108020002080000888070000000000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "NRHFWOJROOQKBK-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 "369.030143"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "C18H17OSn"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "368.0"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O"
      },
      {
        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 { 1, 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 "369.030143"
      }
    },
    count {
      heavy-atom 20,
      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 2,
      tautomers -1
    }
  }
}