PC-Compounds ::= {
  {
    id {
      id cid 44142203
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
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        24,
        25,
        26,
        27,
        28,
        29,
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        32,
        33,
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        35,
        36,
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        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53
      },
      element {
        cl,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        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
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        13,
        13,
        15,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        22,
        22,
        23,
        23,
        24,
        25,
        25,
        25,
        26,
        26,
        27,
        27,
        28,
        28,
        28,
        29,
        29,
        30,
        30,
        31
      },
      aid2 {
        21,
        12,
        25,
        12,
        14,
        7,
        14,
        15,
        7,
        8,
        10,
        12,
        9,
        32,
        11,
        33,
        34,
        11,
        16,
        13,
        18,
        17,
        14,
        19,
        22,
        35,
        36,
        20,
        37,
        21,
        38,
        23,
        39,
        24,
        40,
        21,
        41,
        26,
        27,
        24,
        42,
        43,
        28,
        44,
        45,
        29,
        46,
        30,
        47,
        48,
        49,
        50,
        31,
        51,
        31,
        52,
        53
      },
      order {
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
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        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 7,
        top 10,
        bottom 8,
        below 12,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 5,
        top 6,
        bottom 9,
        below 32,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
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          6,
          7,
          8,
          9,
          10,
          11,
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          15,
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          18,
          19,
          20,
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          22,
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          33,
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          35,
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          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53
        },
        conformers {
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            z {
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            data {
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              {
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                  source "openeye.com",
                  release "2012.11.26"
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                value fvec {
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              {
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                },
                value fval { 136559, 10, -2 }
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                value fval { 3321, 10, -1 }
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        data {
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            value fval { 8, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
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            },
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      {
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          release "2012.11.26"
        },
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      {
        urn {
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          "6 5 6 7 10 13 14 rings",
          "6 9 11 16 17 20 21 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
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      atom-chiral-undef 0,
      bond-chiral 0,
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    }
  }
}