PC-Compounds ::= {
  {
    id {
      id cid 67643958
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
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        10,
        11,
        12,
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        32,
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        34,
        35,
        36,
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        38,
        39,
        40,
        41,
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        47,
        48,
        49,
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        61,
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        70,
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        74,
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        84,
        85,
        86,
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        89,
        90,
        91,
        92,
        93,
        94,
        95,
        96,
        97,
        98,
        99,
        100,
        101,
        102,
        103,
        104
      },
      element {
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        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
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        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        c,
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        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        h,
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        h,
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        h,
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        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,
        7,
        8,
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        11,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
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        14,
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        15,
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        16,
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        16,
        17,
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        18,
        18,
        19,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        24,
        25,
        26,
        26,
        26,
        27,
        27,
        28,
        29,
        29,
        29,
        30,
        30,
        31,
        31,
        31,
        32,
        32,
        32,
        33,
        33,
        33,
        34,
        34,
        34,
        35,
        35,
        36,
        36,
        37,
        37,
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        38,
        38,
        39,
        39,
        39,
        40,
        40,
        40,
        41,
        41,
        42,
        42,
        43,
        43,
        44,
        44,
        44,
        45
      },
      aid2 {
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        41,
        25,
        87,
        36,
        95,
        38,
        96,
        41,
        44,
        42,
        101,
        43,
        102,
        45,
        103,
        46,
        104,
        46,
        12,
        14,
        16,
        26,
        13,
        23,
        47,
        15,
        24,
        29,
        17,
        22,
        31,
        18,
        19,
        48,
        18,
        49,
        50,
        20,
        28,
        51,
        52,
        27,
        36,
        37,
        21,
        32,
        53,
        25,
        33,
        38,
        25,
        54,
        55,
        28,
        56,
        57,
        30,
        58,
        59,
        60,
        61,
        62,
        63,
        30,
        64,
        65,
        66,
        67,
        68,
        69,
        70,
        71,
        72,
        73,
        34,
        74,
        75,
        35,
        76,
        77,
        35,
        39,
        40,
        78,
        79,
        80,
        81,
        82,
        83,
        84,
        85,
        86,
        88,
        89,
        90,
        91,
        92,
        93,
        42,
        94,
        43,
        97,
        45,
        98,
        45,
        46,
        99,
        100
      },
      order {
        single,
        single,
        single,
        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,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
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        double,
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        single,
        single,
        single,
        single,
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        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,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 12,
        top 16,
        bottom 14,
        below 26,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 11,
        top 13,
        bottom 23,
        below 47,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 12,
        top 24,
        bottom 15,
        below 29,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 11,
        top 17,
        bottom 22,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 13,
        top 18,
        bottom 19,
        below 48,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 19,
        above 15,
        top 27,
        bottom 36,
        below 37,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 20,
        above 17,
        top 21,
        bottom 32,
        below 53,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 21,
        above 20,
        top 25,
        bottom 33,
        below 38,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 25,
        above 2,
        top 22,
        bottom 21,
        below 60,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 27,
        above 1,
        top 30,
        bottom 19,
        below 64,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 41,
        above 1,
        top 42,
        bottom 5,
        below 94,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 42,
        above 6,
        top 41,
        bottom 43,
        below 97,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 43,
        above 7,
        top 45,
        bottom 42,
        below 98,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 44,
        above 5,
        top 45,
        bottom 46,
        below 99,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 45,
        above 8,
        top 43,
        bottom 44,
        below 100,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
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        aid {
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          100,
          101,
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          103,
          104
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        conformers {
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              { -74437, 10, -4 },
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            },
            data {
              {
                urn {
                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
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                },
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}