PC-Compounds ::= {
  {
    id {
      id cid 41042569
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        20,
        21,
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        32,
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        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
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        s,
        o,
        o,
        o,
        o,
        o,
        n,
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        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,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        5,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        16,
        17,
        18,
        19,
        19,
        20,
        21,
        22,
        22,
        23,
        23,
        24,
        24,
        25,
        26,
        27,
        27,
        28,
        28,
        29
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        29,
        12,
        13,
        18,
        20,
        10,
        11,
        14,
        17,
        42,
        12,
        30,
        31,
        13,
        32,
        33,
        15,
        34,
        16,
        35,
        17,
        18,
        36,
        37,
        38,
        39,
        40,
        41,
        20,
        19,
        21,
        22,
        21,
        23,
        24,
        43,
        25,
        44,
        25,
        45,
        46,
        27,
        28,
        47,
        29,
        48,
        49
      },
      order {
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        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 12,
        above 3,
        top 10,
        bottom 15,
        below 34,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 3,
        top 11,
        bottom 16,
        below 35,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
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          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49
        },
        conformers {
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            z {
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              { 13609, 10, -4 }
            },
            data {
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              {
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              {
                urn {
                  label "Shape",
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                },
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                  release "2012.11.26"
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        data {
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            urn {
              label "Conformer",
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            },
            value fval { 8, 10, -1 }
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          {
            urn {
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    },
    props {
      {
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        },
        value fval { 52, 10, -1 }
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      {
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          release "2012.11.26"
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          "5 2 26 27 28 29 rings",
          "6 14 17 18 19 20 21 rings",
          "6 19 21 22 23 24 25 rings",
          "6 3 8 10 11 12 13 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}