PC-Compound ::= {
  id {
    id cid 30614
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
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      15,
      16,
      17,
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      19,
      20,
      21,
      22,
      23,
      24,
      25,
      26,
      27,
      28,
      29
    },
    element {
      o,
      o,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
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      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
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      1,
      2,
      2,
      3,
      3,
      3,
      4,
      4,
      4,
      5,
      5,
      6,
      6,
      7,
      7,
      8,
      9,
      9,
      9,
      10,
      10,
      11,
      11,
      12,
      12,
      12,
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      13,
      14
    },
    aid2 {
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      7,
      6,
      8,
      5,
      9,
      20,
      5,
      6,
      15,
      16,
      17,
      18,
      19,
      8,
      10,
      11,
      12,
      21,
      22,
      13,
      23,
      14,
      24,
      25,
      26,
      27,
      14,
      28,
      29
    },
    order {
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      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
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      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 4,
      above 1,
      top 5,
      bottom 6,
      below 15,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
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      aid {
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        4,
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        6,
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        19,
        20,
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        22,
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        24,
        25,
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      },
      conformers {
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          y {
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          z {
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            { -1665, 10, -4 }
          },
          data {
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            {
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            {
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              value fval { 30488, 10, -3 }
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            {
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            {
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      data {
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        },
        {
          urn {
            label "Diverse Conformer",
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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",
        release "2012.02.08"
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    {
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    {
      urn {
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      },
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      }
    }
  },
  count {
    heavy-atom 14,
    atom-chiral 1,
    atom-chiral-def 0,
    atom-chiral-undef 1,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}