PC-Compounds ::= {
  {
    id {
      id cid 62959
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
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        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
      },
      element {
        f,
        f,
        f,
        o,
        o,
        o,
        n,
        n,
        n,
        n,
        c,
        c,
        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
      }
    },
    bonds {
      aid1 {
        1,
        2,
        3,
        4,
        5,
        5,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        14,
        14,
        15,
        15,
        16,
        17,
        18,
        19,
        19,
        20,
        21,
        22,
        22,
        23,
        24,
        24,
        25,
        26,
        26,
        28,
        28,
        29,
        29
      },
      aid2 {
        17,
        25,
        30,
        21,
        27,
        45,
        27,
        14,
        15,
        16,
        13,
        38,
        39,
        16,
        18,
        18,
        22,
        24,
        12,
        13,
        14,
        31,
        13,
        15,
        32,
        33,
        34,
        35,
        36,
        37,
        17,
        19,
        20,
        20,
        40,
        21,
        23,
        23,
        41,
        27,
        25,
        26,
        28,
        29,
        42,
        30,
        43,
        30,
        44
      },
      order {
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 12,
        top 13,
        bottom 14,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 11,
        top 15,
        bottom 13,
        below 32,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
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          17,
          18,
          19,
          20,
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          22,
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          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45
        },
        conformers {
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            y {
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              { -30234, 10, -4 }
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              { -22899, 10, -4 },
              { 19625, 10, -4 },
              { -23195, 10, -4 },
              { -9293, 10, -4 }
            },
            data {
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              {
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              {
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              {
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                value fval { 1250026, 10, -3 }
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              {
                urn {
                  label "Shape",
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        data {
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            urn {
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          {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
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      {
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          "6 7 11 12 13 14 15 rings",
          "6 9 16 17 18 19 20 rings"
        }
      }
    },
    count {
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    }
  }
}