PC-Compounds ::= {
  {
    id {
      id cid 238782
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
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        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31
      },
      element {
        o,
        o,
        o,
        o,
        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
      }
    },
    bonds {
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        1,
        1,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        10,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        17,
        17,
        18,
        18,
        19
      },
      aid2 {
        5,
        10,
        9,
        11,
        30,
        16,
        31,
        6,
        8,
        20,
        9,
        21,
        22,
        9,
        10,
        11,
        13,
        14,
        12,
        15,
        16,
        23,
        17,
        24,
        18,
        25,
        16,
        26,
        19,
        27,
        19,
        28,
        29
      },
      order {
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 5,
        above 1,
        top 6,
        bottom 8,
        below 20,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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        },
        aid {
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          22,
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          24,
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          26,
          27,
          28,
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          31
        },
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            y {
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            z {
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              { -18303, 10, -4 },
              { -2281, 10, -4 },
              { 712, 10, -4 },
              { 2741, 10, -4 }
            },
            data {
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                },
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              {
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                  release "2012.11.26"
                },
                value fvec {
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                value fval { 815379, 10, -3 }
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              {
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        data {
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            },
            value fval { 6, 10, -1 }
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          {
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            },
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    },
    props {
      {
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          label "Charge",
          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
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      {
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      {
        urn {
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        },
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          "6 8 13 14 17 18 19 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
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      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
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    }
  }
}