PC-Compounds ::= {
  {
    id {
      id cid 60191469
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
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        42,
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        44,
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        51,
        52,
        53,
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      },
      element {
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        c,
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        c,
        c,
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        c,
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        h,
        h,
        h,
        h,
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        h,
        h,
        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        14,
        14,
        16,
        17,
        17,
        17,
        18,
        18,
        19,
        20,
        20,
        20,
        21,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        25,
        25,
        26,
        27,
        27,
        27
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      aid2 {
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        49,
        15,
        16,
        19,
        8,
        11,
        16,
        12,
        13,
        19,
        15,
        17,
        37,
        9,
        12,
        28,
        10,
        14,
        29,
        11,
        15,
        30,
        13,
        31,
        32,
        33,
        18,
        34,
        35,
        22,
        20,
        21,
        36,
        25,
        38,
        26,
        23,
        39,
        40,
        24,
        41,
        42,
        27,
        43,
        44,
        24,
        45,
        46,
        47,
        48,
        26,
        50,
        51,
        52,
        53,
        54
      },
      order {
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        single,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 8,
        above 5,
        top 12,
        bottom 9,
        below 28,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 8,
        top 10,
        bottom 14,
        below 29,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 9,
        top 15,
        bottom 11,
        below 30,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 5,
        top 10,
        bottom 13,
        below 31,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53,
          54
        },
        conformers {
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            data {
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              {
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              {
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                value fvec {
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        data {
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          {
            urn {
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    props {
      {
        urn {
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    },
    count {
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      covalent-unit 1,
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    }
  }
}