PC-Compounds ::= {
  {
    id {
      id cid 69215828
    },
    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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        24,
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        28,
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        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49
      },
      element {
        br,
        cl,
        cl,
        o,
        o,
        n,
        n,
        n,
        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
      }
    },
    bonds {
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        1,
        2,
        3,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        13,
        16,
        16,
        17,
        17,
        18,
        18,
        18,
        19,
        19,
        19,
        20,
        20,
        21,
        21,
        22,
        22,
        23,
        23,
        24,
        24,
        25,
        25,
        27,
        28,
        29
      },
      aid2 {
        26,
        27,
        28,
        14,
        15,
        9,
        12,
        15,
        14,
        15,
        17,
        11,
        18,
        19,
        10,
        13,
        14,
        11,
        30,
        31,
        12,
        32,
        33,
        34,
        16,
        35,
        36,
        20,
        21,
        22,
        23,
        37,
        38,
        39,
        40,
        41,
        42,
        24,
        43,
        25,
        44,
        28,
        45,
        27,
        46,
        26,
        47,
        26,
        48,
        29,
        29,
        49
      },
      order {
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 6,
        top 10,
        bottom 13,
        below 14,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 8,
        top 10,
        bottom 12,
        below 32,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49
        },
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              { -3169, 10, -4 }
            },
            data {
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              {
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                value fvec {
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              {
                urn {
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        data {
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          {
            urn {
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            },
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    },
    props {
      {
        urn {
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          name "MMFF94 Partial",
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          source "OpenEye Scientific Software",
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        },
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      {
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        },
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      {
        urn {
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        }
      }
    },
    count {
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      atom-chiral 2,
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    }
  }
}