PC-Compounds ::= {
  {
    id {
      id cid 51900002
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        15,
        16,
        17,
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        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,
        58
      },
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        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        h,
        h,
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        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,
        2,
        3,
        4,
        4,
        5,
        6,
        7,
        7,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        17,
        17,
        17,
        18,
        18,
        21,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        24,
        25,
        25,
        25,
        27,
        27,
        27,
        28,
        29,
        30,
        30,
        31,
        31,
        32
      },
      aid2 {
        16,
        19,
        20,
        23,
        20,
        22,
        26,
        21,
        26,
        29,
        32,
        28,
        19,
        21,
        43,
        25,
        28,
        55,
        12,
        13,
        17,
        33,
        14,
        34,
        35,
        16,
        36,
        37,
        15,
        38,
        39,
        16,
        18,
        40,
        41,
        42,
        19,
        20,
        22,
        44,
        45,
        24,
        46,
        47,
        49,
        50,
        51,
        26,
        27,
        48,
        52,
        53,
        54,
        29,
        30,
        31,
        56,
        32,
        57,
        58
      },
      order {
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        single,
        single,
        single,
        double,
        single,
        single,
        double,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
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        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 12,
        top 17,
        bottom 13,
        below 33,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 25,
        above 10,
        top 26,
        bottom 27,
        below 48,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
          4,
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          48,
          49,
          50,
          51,
          52,
          53,
          54,
          55,
          56,
          57,
          58
        },
        conformers {
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            z {
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              { 33935, 10, -4 }
            },
            data {
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              {
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              {
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        data {
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            },
            value fval { 12, 10, -1 }
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          {
            urn {
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          release "2012.11.26"
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          release "2012.11.26"
        },
        value fval { 128, 10, -1 }
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      {
        urn {
          label "Features",
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          "1 9 donor",
          "5 1 15 16 18 19 rings",
          "5 7 29 30 31 32 rings",
          "6 11 12 13 14 15 16 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
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      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
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    }
  }
}