PC-Compound ::= {
  id {
    id cid 3564247
  },
  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
    },
    element {
      s,
      o,
      o,
      o,
      o,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    },
    charge {
      {
        aid 4,
        value -1
      },
      {
        aid 7,
        value 1
      }
    }
  },
  bonds {
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      1,
      2,
      2,
      3,
      4,
      5,
      6,
      6,
      6,
      7,
      8,
      8,
      8,
      9,
      9,
      9,
      10,
      10,
      10,
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      15,
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    aid2 {
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      7,
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      17,
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      12,
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      11,
      21,
      22,
      23,
      24,
      25,
      26,
      14,
      15,
      16,
      28,
      17,
      29
    },
    order {
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      double,
      single
    }
  },
  stereo {
    tetrahedral {
      center 8,
      above 2,
      top 9,
      bottom 12,
      below 18,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
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      },
      aid {
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        6,
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        19,
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        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29
      },
      conformers {
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          y {
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          z {
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          data {
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            {
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      data {
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        {
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  props {
    {
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        software "OEChem",
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        release "2012.02.08"
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    {
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  },
  count {
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    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 2
  }
}