PC-Compounds ::= {
  {
    id {
      id cid 67398014
    },
    atoms {
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        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,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54,
        55,
        56,
        57
      },
      element {
        s,
        s,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        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,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        8,
        9,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        15,
        15,
        16,
        16,
        17,
        18,
        19,
        20,
        20,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        24,
        26,
        26,
        27,
        27,
        28,
        29,
        29,
        30,
        31,
        31,
        32,
        32,
        33,
        33,
        34
      },
      aid2 {
        14,
        15,
        25,
        29,
        11,
        17,
        12,
        18,
        13,
        19,
        14,
        16,
        17,
        18,
        19,
        25,
        30,
        12,
        13,
        35,
        14,
        36,
        15,
        37,
        38,
        39,
        40,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        28,
        51,
        28,
        52,
        53,
        30,
        31,
        32,
        33,
        54,
        34,
        55,
        34,
        56,
        57
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 3,
        top 13,
        bottom 12,
        below 35,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 4,
        top 14,
        bottom 11,
        below 36,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 5,
        top 11,
        bottom 15,
        below 37,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 1,
        top 12,
        bottom 6,
        below 38,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
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          6,
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          8,
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          10,
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          18,
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          20,
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          22,
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          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53,
          54,
          55,
          56,
          57
        },
        conformers {
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              { 49594, 10, -4 },
              { 488, 10, -2 }
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            data {
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                },
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              {
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              {
                urn {
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                  software "PubChem",
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                  release "2012.11.26"
                },
                value fval { 1395897, 10, -3 }
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              {
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                  source "openeye.com",
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                value fval { 3719, 10, -1 }
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        data {
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          {
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    props {
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        },
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        },
        value fval { 102, 10, -1 }
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      {
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          "6 16 20 21 26 27 28 rings",
          "6 29 30 31 32 33 34 rings"
        }
      }
    },
    count {
      heavy-atom 34,
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      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
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    }
  }
}