PC-Compounds ::= {
  {
    id {
      id cid 9896287
    },
    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
      },
      element {
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        b,
        li
      },
      charge {
        {
          aid 45,
          value -1
        },
        {
          aid 46,
          value 1
        }
      }
    },
    bonds {
      aid1 {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40
      },
      aid2 {
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        25,
        29,
        45,
        26,
        30,
        45,
        27,
        31,
        45,
        28,
        32,
        45,
        37,
        38,
        39,
        40,
        33,
        34,
        35,
        36,
        41,
        42,
        43,
        44,
        41,
        42,
        43,
        44
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        double,
        double,
        double,
        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,
          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
        },
        conformers {
          {
            x {
              { 4111, 10, -3 },
              { 72984, 10, -4 },
              { 66061, 10, -4 },
              { 40531, 10, -4 },
              { 76488, 10, -4 },
              { 45267, 10, -4 },
              { 83065, 10, -4 },
              { 59115, 10, -4 },
              { 76488, 10, -4 },
              { 45267, 10, -4 },
              { 96702, 10, -4 },
              { 40321, 10, -4 },
              { 41847, 10, -4 },
              { 79908, 10, -4 },
              { 84854, 10, -4 },
              { 28473, 10, -4 },
              { 59168, 10, -4 },
              { 62588, 10, -4 },
              { 100175, 10, -4 },
              { 25, 10, -1 },
              { 59168, 10, -4 },
              { 62588, 10, -4 },
              { 71985, 10, -4 },
              { 53191, 10, -4 },
              { 50507, 10, -4 },
              { 71248, 10, -4 },
              { 73721, 10, -4 },
              { 4553, 10, -3 },
              { 67828, 10, -4 },
              { 53928, 10, -4 },
              { 79645, 10, -4 },
              { 51454, 10, -4 },
              { 67828, 10, -4 },
              { 53928, 10, -4 },
              { 89042, 10, -4 },
              { 42057, 10, -4 },
              { 50507, 10, -4 },
              { 71248, 10, -4 },
              { 83118, 10, -4 },
              { 36133, 10, -4 },
              { 59168, 10, -4 },
              { 62588, 10, -4 },
              { 90778, 10, -4 },
              { 34397, 10, -4 },
              { 62588, 10, -4 },
              { 0, 10, 0 }
            },
            y {
              { 2158, 10, -3 },
              { 44549, 10, -4 },
              { 19701, 10, -4 },
              { 27729, 10, -4 },
              { 3, 10, 0 },
              { 49397, 10, -4 },
              { 51802, 10, -4 },
              { 59093, 10, -4 },
              { 1, 10, 0 },
              { 69397, 10, -4 },
              { 45412, 10, -4 },
              { 65934, 10, -4 },
              { 1, 10, 0 },
              { 69397, 10, -4 },
              { 1286, 10, -3 },
              { 33382, 10, -4 },
              { 0, 10, 0 },
              { 79397, 10, -4 },
              { 25716, 10, -4 },
              { 53078, 10, -4 },
              { 3, 10, 0 },
              { 49397, 10, -4 },
              { 35977, 10, -4 },
              { 42817, 10, -4 },
              { 25, 10, -1 },
              { 54397, 10, -4 },
              { 26129, 10, -4 },
              { 36389, 10, -4 },
              { 25, 10, -1 },
              { 54397, 10, -4 },
              { 42405, 10, -4 },
              { 52665, 10, -4 },
              { 15, 10, -1 },
              { 64397, 10, -4 },
              { 38984, 10, -4 },
              { 56085, 10, -4 },
              { 15, 10, -1 },
              { 64397, 10, -4 },
              { 22708, 10, -4 },
              { 3981, 10, -3 },
              { 1, 10, 0 },
              { 69397, 10, -4 },
              { 29136, 10, -4 },
              { 49658, 10, -4 },
              { 39397, 10, -4 },
              { 37198, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                21,
                21,
                22,
                22,
                23,
                23,
                24,
                24,
                25,
                26,
                27,
                28,
                29,
                30,
                31,
                32,
                33,
                34,
                35,
                36,
                37,
                38,
                39,
                40
              },
              aid2 {
                25,
                29,
                26,
                30,
                27,
                31,
                28,
                32,
                37,
                38,
                39,
                40,
                33,
                34,
                35,
                36,
                41,
                42,
                43,
                44,
                41,
                42,
                43,
                44
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2007.10.31"
        },
        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 { 808, 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 21
      },
      {
        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 4
      },
      {
        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 '000003710A7801C00000000000000000000000000000000000003060
C18000000000000154002009000000000008000010080000800000008000004000000200002000
000088000000880820228010108020002080000888070000000000000000000000000000000000
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 "lithium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide"
      },
      {
        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 "lithium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "lithium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "lithium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "lithium;tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boran
uide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "lithium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C24BF20.Li/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-
7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)2
4(45)20(41)12(4)33;/q-1;+1"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "WTTFKRRTEAPVBI-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "685.9933718"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C24BF20Li"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "686.0"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[Li+].[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)
F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[Li+].[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)
F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F"
      },
      {
        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 { 0, 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 "685.9933718"
      }
    },
    count {
      heavy-atom 46,
      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
    }
  }
}