PC-Compounds ::= {
  {
    id {
      id cid 54751361
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
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        20,
        21,
        22,
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        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53
      },
      element {
        cl,
        cl,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        c,
        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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        7,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        18,
        20,
        21,
        21,
        21,
        23,
        24,
        24,
        25,
        25,
        25,
        26,
        27,
        27,
        28,
        28,
        28
      },
      aid2 {
        20,
        20,
        14,
        22,
        17,
        41,
        19,
        43,
        22,
        23,
        26,
        13,
        23,
        36,
        24,
        26,
        47,
        27,
        52,
        53,
        13,
        15,
        16,
        29,
        14,
        30,
        20,
        21,
        17,
        31,
        32,
        19,
        22,
        18,
        33,
        19,
        34,
        35,
        37,
        38,
        39,
        40,
        24,
        25,
        42,
        44,
        45,
        46,
        27,
        28,
        48,
        49,
        50,
        51
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        double,
        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,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 12,
        above 13,
        top 16,
        bottom 15,
        below 29,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 9,
        top 14,
        bottom 12,
        below 30,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 3,
        top 13,
        bottom 20,
        below 21,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 17,
        above 4,
        top 15,
        bottom 18,
        below 33,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 24,
        above 10,
        top 25,
        bottom 23,
        below 42,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 27,
        above 11,
        top 28,
        bottom 26,
        below 48,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
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          6,
          7,
          8,
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          10,
          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,
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          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
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          38,
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          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53
        },
        conformers {
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            data {
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        data {
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          {
            urn {
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    },
    props {
      {
        urn {
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          source "OpenEye Scientific Software",
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        },
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          datatype stringlist,
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          "1 9 donor",
          "6 12 15 16 17 18 19 rings",
          "6 3 12 13 14 16 22 rings"
        }
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    },
    count {
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      atom-chiral-def 6,
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      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 20
    }
  }
}