PC-Compounds ::= {
  {
    id {
      id cid 9819995
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
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        49,
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        54,
        55,
        56,
        57,
        58,
        59
      },
      element {
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        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        c,
        c,
        c,
        c,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
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    bonds {
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        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        17,
        18,
        18,
        18,
        19,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        24
      },
      aid2 {
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        35,
        9,
        36,
        15,
        49,
        25,
        59,
        25,
        7,
        8,
        11,
        26,
        9,
        12,
        27,
        10,
        28,
        10,
        29,
        30,
        31,
        13,
        32,
        33,
        14,
        34,
        16,
        37,
        15,
        38,
        17,
        39,
        19,
        40,
        18,
        41,
        42,
        20,
        43,
        44,
        21,
        45,
        46,
        22,
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        48,
        23,
        50,
        51,
        24,
        52,
        53,
        25,
        54,
        55,
        56,
        57,
        58
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      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        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 6,
        above 7,
        top 11,
        bottom 8,
        below 26,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 6,
        top 12,
        bottom 9,
        below 27,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 1,
        top 6,
        bottom 10,
        below 28,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 2,
        top 7,
        bottom 10,
        below 29,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 3,
        top 17,
        bottom 14,
        below 39,
        parity counterclockwise,
        type tetrahedral
      },
      planar {
        left 12,
        ltop 7,
        lbottom 34,
        right 14,
        rtop 38,
        rbottom 15,
        parity opposite,
        type planar
      },
      planar {
        left 13,
        ltop 11,
        lbottom 37,
        right 16,
        rtop 19,
        rbottom 40,
        parity same,
        type planar
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
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          49,
          50,
          51,
          52,
          53,
          54,
          55,
          56,
          57,
          58,
          59
        },
        conformers {
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            data {
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              {
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                value fval { 945574, 10, -3 }
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              {
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        data {
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      {
        urn {
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          "3 4 5 25 anion",
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        }
      }
    },
    count {
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      atom-chiral-undef 1,
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      covalent-unit 1,
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    }
  }
}