PC-Compounds ::= {
  {
    id {
      id cid 70673741
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        35,
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        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
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      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        c,
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        c,
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        c,
        c,
        c,
        c,
        c,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        5,
        6,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        17,
        17,
        17,
        19,
        20,
        21,
        21,
        23,
        23,
        23,
        24,
        24,
        25,
        25,
        26,
        27,
        28,
        28,
        29,
        29,
        30,
        31,
        32,
        32,
        32
      },
      aid2 {
        10,
        44,
        21,
        22,
        12,
        27,
        18,
        22,
        27,
        30,
        52,
        14,
        17,
        18,
        19,
        26,
        11,
        12,
        15,
        13,
        16,
        22,
        33,
        18,
        21,
        16,
        19,
        23,
        34,
        35,
        36,
        20,
        37,
        38,
        20,
        24,
        39,
        40,
        41,
        42,
        43,
        25,
        45,
        26,
        28,
        29,
        32,
        30,
        46,
        31,
        47,
        31,
        48,
        49,
        50,
        51
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 10,
        above 1,
        top 11,
        bottom 12,
        below 15,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 3,
        top 22,
        bottom 10,
        below 33,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
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          6,
          7,
          8,
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          42,
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          44,
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          46,
          47,
          48,
          49,
          50,
          51,
          52
        },
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            data {
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              {
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              {
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                },
                value fval { 136047, 10, -2 }
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              {
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        data {
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            },
            value fval { 8, 10, -1 }
          },
          {
            urn {
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            },
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    props {
      {
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          release "2012.11.26"
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      {
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          label "Count",
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          source "openeye.com",
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          "6 9 19 20 24 25 26 rings",
          "7 2 10 11 12 13 21 22 rings"
        }
      }
    },
    count {
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      atom-chiral-undef 0,
      bond-chiral 0,
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      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
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    }
  }
}