PC-Compounds ::= {
  {
    id {
      id cid 10439130
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        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 {
        o,
        o,
        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,
        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
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        6,
        6,
        7,
        7,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        17,
        19,
        19,
        20,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        24,
        25,
        25,
        25,
        26,
        26,
        26,
        28,
        28,
        28,
        29,
        29,
        29
      },
      aid2 {
        10,
        13,
        13,
        22,
        18,
        25,
        19,
        26,
        18,
        20,
        28,
        27,
        29,
        27,
        11,
        12,
        18,
        14,
        17,
        12,
        13,
        30,
        14,
        31,
        15,
        32,
        33,
        16,
        19,
        34,
        17,
        20,
        21,
        35,
        36,
        23,
        24,
        37,
        38,
        39,
        40,
        24,
        41,
        27,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 9,
        top 12,
        bottom 13,
        below 30,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 9,
        top 14,
        bottom 11,
        below 31,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 1,
        top 2,
        bottom 11,
        below 15,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 13,
        top 16,
        bottom 19,
        below 34,
        parity any,
        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,
          16,
          17,
          18,
          19,
          20,
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          30,
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          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53
        },
        conformers {
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            z {
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              { -13447, 10, -4 }
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            data {
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              {
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                value fvec {
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              {
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                },
                value fval { 1160731, 10, -3 }
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              {
                urn {
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        data {
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            urn {
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            },
            value fval { 1, 10, 0 }
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          {
            urn {
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            value ivec {
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    },
    props {
      {
        urn {
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      {
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        },
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      {
        urn {
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          "6 16 17 20 21 23 24 rings",
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        }
      }
    },
    count {
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      atom-chiral 4,
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      bond-chiral 0,
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      bond-chiral-undef 0,
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      covalent-unit 1,
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    }
  }
}