PC-Compounds ::= {
  {
    id {
      id cid 49791094
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49
      },
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        cl,
        s,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        18,
        18,
        19,
        20,
        20,
        21,
        21,
        22,
        22,
        23,
        25,
        25,
        26,
        26,
        27,
        27,
        28,
        28,
        29,
        29
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      aid2 {
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        17,
        19,
        14,
        15,
        11,
        38,
        12,
        39,
        13,
        40,
        16,
        41,
        24,
        17,
        18,
        24,
        25,
        45,
        12,
        13,
        31,
        14,
        32,
        15,
        33,
        16,
        34,
        17,
        35,
        36,
        37,
        19,
        20,
        21,
        22,
        42,
        23,
        43,
        23,
        24,
        44,
        26,
        27,
        28,
        46,
        29,
        47,
        30,
        48,
        30,
        49
      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
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        double,
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        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 4,
        top 12,
        bottom 13,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 5,
        top 14,
        bottom 11,
        below 32,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 6,
        top 15,
        bottom 11,
        below 33,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 3,
        top 12,
        bottom 16,
        below 34,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 3,
        top 17,
        bottom 13,
        below 35,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49
        },
        conformers {
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              { -5677, 10, -4 }
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            data {
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              {
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        data {
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          {
            urn {
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    },
    props {
      {
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        },
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      {
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        },
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      {
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          "5 2 9 17 18 19 rings",
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          "6 25 26 27 28 29 30 rings",
          "6 3 11 12 13 14 15 rings"
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      }
    },
    count {
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}