PC-Compounds ::= {
  {
    id {
      id cid 70679361
    },
    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
      },
      element {
        f,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        13,
        14,
        14,
        15,
        16,
        16,
        16
      },
      aid2 {
        12,
        12,
        13,
        9,
        24,
        11,
        25,
        13,
        26,
        14,
        27,
        15,
        10,
        15,
        23,
        10,
        11,
        17,
        13,
        18,
        12,
        19,
        14,
        20,
        21,
        22,
        16,
        28,
        29,
        30
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 3,
        top 11,
        bottom 10,
        below 17,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 8,
        top 13,
        bottom 9,
        below 18,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 4,
        top 9,
        bottom 12,
        below 19,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 1,
        top 11,
        bottom 2,
        below 14,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 2,
        top 10,
        bottom 5,
        below 20,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          20,
          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30
        },
        conformers {
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            y {
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              { -6349, 10, -4 },
              { -6873, 10, -4 },
              { 8762, 10, -4 }
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            z {
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              { -12024, 10, -4 },
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              { 15873, 10, -4 },
              { -8866, 10, -4 },
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              { 927, 10, -4 },
              { 6958, 10, -4 }
            },
            data {
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                },
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              {
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              },
              {
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        data {
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          {
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    },
    props {
      {
        urn {
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          name "MMFF94 Partial",
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      {
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      {
        urn {
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          datatype stringlist,
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          release "2012.11.26"
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          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 8 donor",
          "6 2 9 10 11 12 13 rings"
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      }
    },
    count {
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      atom-chiral 5,
      atom-chiral-def 5,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}