PC-Compounds ::= {
  {
    id {
      id cid 53382821
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        14,
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        38,
        39,
        40,
        41,
        42,
        43,
        44,
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        47,
        48,
        49
      },
      element {
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        o,
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        n,
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        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
      }
    },
    bonds {
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        1,
        1,
        2,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        23,
        23,
        23,
        24,
        25,
        26,
        26,
        26,
        27,
        27,
        27,
        28,
        28,
        28
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      aid2 {
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        27,
        16,
        22,
        28,
        11,
        12,
        13,
        11,
        35,
        36,
        21,
        8,
        9,
        10,
        29,
        12,
        16,
        11,
        21,
        14,
        15,
        30,
        17,
        18,
        19,
        31,
        20,
        32,
        24,
        33,
        25,
        34,
        22,
        37,
        22,
        38,
        24,
        25,
        26,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49
      },
      order {
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        triple,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 8,
        top 9,
        bottom 10,
        below 29,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          6,
          7,
          8,
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          11,
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          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49
        },
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            },
            data {
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              {
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              {
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              {
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        data {
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          {
            urn {
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      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
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          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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          "6 10 14 15 19 20 22 rings",
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        }
      }
    },
    count {
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      bond-chiral 0,
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      bond-chiral-undef 0,
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    }
  }
}