PC-Compounds ::= {
  {
    id {
      id cid 9568628
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
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      },
      element {
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
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        h,
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        h,
        h,
        h,
        h,
        h,
        h,
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        h,
        h,
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        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,
        4,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        16,
        17,
        18,
        18,
        18,
        19,
        19,
        19,
        20,
        21,
        21,
        21,
        22,
        22,
        24
      },
      aid2 {
        8,
        48,
        3,
        53,
        23,
        5,
        8,
        9,
        15,
        6,
        10,
        25,
        7,
        14,
        26,
        11,
        12,
        27,
        13,
        20,
        11,
        28,
        29,
        13,
        30,
        31,
        32,
        33,
        17,
        18,
        34,
        35,
        36,
        16,
        37,
        38,
        19,
        39,
        40,
        17,
        41,
        42,
        22,
        21,
        43,
        44,
        45,
        46,
        47,
        24,
        23,
        49,
        50,
        23,
        51,
        52
      },
      order {
        single,
        single,
        single,
        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,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        triple,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 4,
        above 5,
        top 8,
        bottom 9,
        below 15,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 5,
        above 4,
        top 10,
        bottom 6,
        below 25,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 6,
        above 5,
        top 7,
        bottom 14,
        below 26,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 6,
        top 12,
        bottom 11,
        below 27,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 1,
        top 13,
        bottom 4,
        below 20,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 7,
        top 18,
        bottom 17,
        below 34,
        parity counterclockwise,
        type tetrahedral
      },
      planar {
        left 3,
        ltop -1,
        lbottom 2,
        right 23,
        rtop 22,
        rbottom 21,
        parity opposite,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
          4,
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          6,
          7,
          8,
          9,
          10,
          11,
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          15,
          16,
          17,
          18,
          19,
          20,
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          22,
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          30,
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          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53
        },
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            data {
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        data {
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            },
            value fval { 6, 10, -1 }
          },
          {
            urn {
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    },
    props {
      {
        urn {
          label "Charge",
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          "6 4 5 6 7 9 11 rings",
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        }
      }
    },
    count {
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      atom-chiral 6,
      atom-chiral-def 6,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}