PC-Compounds ::= {
  {
    id {
      id cid 68606480
    },
    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,
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        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43
      },
      element {
        s,
        o,
        o,
        n,
        n,
        n,
        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,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        11,
        11,
        12,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        21,
        22,
        22,
        22,
        23,
        24
      },
      aid2 {
        8,
        11,
        10,
        13,
        7,
        13,
        27,
        10,
        12,
        28,
        16,
        42,
        43,
        8,
        10,
        25,
        9,
        26,
        14,
        15,
        12,
        17,
        18,
        16,
        19,
        29,
        20,
        30,
        22,
        31,
        21,
        32,
        23,
        33,
        24,
        34,
        24,
        35,
        23,
        39,
        36,
        37,
        38,
        40,
        41
      },
      order {
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 4,
        top 10,
        bottom 8,
        below 25,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 1,
        top 9,
        bottom 7,
        below 26,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 6,
        top 22,
        bottom 13,
        below 31,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
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          4,
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          6,
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          8,
          9,
          10,
          11,
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          18,
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          20,
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          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43
        },
        conformers {
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            y {
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              { 42105, 10, -4 }
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            z {
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              { 13109, 10, -4 }
            },
            data {
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              {
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              {
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                value fval { 994449, 10, -3 }
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              {
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        data {
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            },
            value fval { 8, 10, -1 }
          },
          {
            urn {
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            value ivec {
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    },
    props {
      {
        urn {
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      {
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          "7 1 5 7 8 10 11 12 rings"
        }
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    },
    count {
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    }
  }
}