PC-Compound ::= {
  id {
    id cid 5032
  },
  atoms {
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      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
    },
    element {
      o,
      n,
      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
    }
  },
  bonds {
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      1,
      2,
      2,
      2,
      3,
      3,
      3,
      4,
      4,
      5,
      5,
      6,
      6,
      6,
      7,
      7,
      8,
      8,
      9,
      9,
      9,
      10,
      10,
      11,
      11,
      12
    },
    aid2 {
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      21,
      3,
      9,
      18,
      4,
      6,
      13,
      5,
      14,
      7,
      8,
      15,
      16,
      17,
      10,
      19,
      11,
      20,
      22,
      23,
      24,
      12,
      25,
      12,
      26,
      27
    },
    order {
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      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 3,
      above 2,
      top 4,
      bottom 6,
      below 13,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 4,
      above 1,
      top 3,
      bottom 5,
      below 14,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
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      aid {
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        19,
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        22,
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        24,
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      },
      conformers {
        {
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          y {
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            { -19813, 10, -4 },
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          z {
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            { 4828, 10, -4 }
          },
          data {
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                release "2009.12.11"
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            {
              urn {
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                software "Szybki",
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                release "2012.01.18"
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              value fval { 282934, 10, -4 }
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            {
              urn {
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                version "2.1",
                software "PubChem",
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                release "2012.01.18"
              },
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            {
              urn {
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                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.11.26"
              },
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              }
            },
            {
              urn {
                label "Shape",
                name "Multipoles",
                datatype doublevec,
                version "1.8.1",
                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
              },
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            {
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      data {
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        {
          urn {
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            datatype uintvec,
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  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
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        software "OEChem",
        source "openeye.com",
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      },
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    {
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      value fval { 3, 10, 0 }
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    {
      urn {
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        source "openeye.com",
        release "2012.02.08"
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        "1 2 cation",
        "1 2 donor",
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      }
    }
  },
  count {
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    atom-chiral 2,
    atom-chiral-def 0,
    atom-chiral-undef 2,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}