PC-Compounds ::= {
  {
    id {
      id cid 59350330
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
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        25,
        26,
        27,
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        29,
        30,
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        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47
      },
      element {
        s,
        s,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        n,
        n,
        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
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        4,
        5,
        5,
        6,
        7,
        7,
        8,
        8,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        16,
        16,
        18,
        18,
        19,
        19,
        19,
        20,
        21,
        23,
        23,
        24,
        24,
        25,
        26,
        26,
        27,
        29,
        29,
        29
      },
      aid2 {
        15,
        19,
        27,
        28,
        17,
        21,
        22,
        41,
        22,
        12,
        29,
        30,
        47,
        30,
        15,
        17,
        18,
        16,
        21,
        33,
        23,
        38,
        25,
        28,
        28,
        45,
        46,
        16,
        31,
        17,
        32,
        20,
        22,
        20,
        34,
        35,
        24,
        23,
        25,
        36,
        26,
        37,
        27,
        39,
        40,
        42,
        30,
        43,
        44
      },
      order {
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 15,
        above 1,
        top 10,
        bottom 16,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 11,
        top 15,
        bottom 17,
        below 32,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 23,
        above 12,
        top 21,
        bottom 25,
        below 36,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
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          11,
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          15,
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          17,
          18,
          19,
          20,
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          22,
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          25,
          26,
          27,
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          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47
        },
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              { -10592, 10, -4 }
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            data {
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        data {
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          {
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    },
    props {
      {
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      {
        urn {
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        },
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          "1 8 acceptor",
          "1 9 acceptor",
          "3 13 14 28 cation",
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          "3 8 9 30 anion",
          "4 10 15 16 17 rings",
          "5 2 13 25 27 28 rings",
          "6 1 10 15 18 19 20 rings"
        }
      }
    },
    count {
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      atom-chiral 3,
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      atom-chiral-undef 1,
      bond-chiral 0,
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      bond-chiral-undef 0,
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      covalent-unit 1,
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    }
  }
}