PC-Compounds ::= {
  {
    id {
      id cid 53301252
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        16,
        17,
        18,
        19,
        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,
        54,
        55,
        56,
        57,
        58,
        59
      },
      element {
        cl,
        o,
        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,
        h,
        h,
        h,
        h,
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        h,
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        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,
        6,
        6,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        14,
        14,
        16,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        22,
        22,
        24,
        24,
        26,
        26,
        26,
        27,
        27,
        27,
        28,
        28,
        28,
        29,
        29,
        29,
        30,
        30,
        30,
        31,
        31,
        31
      },
      aid2 {
        23,
        13,
        27,
        13,
        15,
        25,
        31,
        8,
        15,
        16,
        8,
        9,
        11,
        13,
        10,
        32,
        12,
        33,
        34,
        12,
        17,
        14,
        19,
        18,
        15,
        21,
        20,
        35,
        36,
        22,
        37,
        23,
        38,
        24,
        39,
        26,
        40,
        41,
        25,
        42,
        23,
        43,
        25,
        44,
        28,
        45,
        46,
        29,
        47,
        48,
        30,
        49,
        50,
        51,
        52,
        53,
        54,
        55,
        56,
        57,
        58,
        59
      },
      order {
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
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        single,
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        double,
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        double,
        single,
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        single,
        single,
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        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 7,
        above 8,
        top 11,
        bottom 9,
        below 13,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 6,
        top 7,
        bottom 10,
        below 32,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          6,
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          8,
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          11,
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          22,
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          30,
          31,
          32,
          33,
          34,
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          38,
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          40,
          41,
          42,
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          44,
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          46,
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          48,
          49,
          50,
          51,
          52,
          53,
          54,
          55,
          56,
          57,
          58,
          59
        },
        conformers {
          {
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            },
            z {
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              { -7413, 10, -4 }
            },
            data {
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                  release "2011.04.04"
                },
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              {
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
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              {
                urn {
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              {
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                  "6786 2 18195784307372611897"
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              },
              {
                urn {
                  label "Shape",
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                  datatype doublevec,
                  version "1.8.3",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              {
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                  release "2012.11.26"
                },
                value fval { 1311978, 10, -3 }
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              {
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                  software "OEShape",
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                },
                value fval { 3414, 10, -1 }
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        data {
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            },
            value fval { 1, 10, 0 }
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          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
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            },
            value ivec {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      },
      {
        urn {
          label "Count",
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        },
        value fval { 84, 10, -1 }
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      {
        urn {
          label "Features",
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          release "2012.11.26"
        },
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          "6 11 14 19 21 24 25 rings",
          "6 6 7 8 11 14 15 rings"
        }
      }
    },
    count {
      heavy-atom 31,
      atom-chiral 2,
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      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}