PC-Compound ::= {
  id {
    id cid 2826420
  },
  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,
      30,
      31,
      32,
      33,
      34,
      35,
      36
    },
    element {
      s,
      f,
      f,
      f,
      o,
      o,
      n,
      n,
      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
    },
    charge {
      {
        aid 5,
        value -1
      },
      {
        aid 7,
        value 1
      }
    }
  },
  bonds {
    aid1 {
      1,
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      8,
      8,
      9,
      9,
      9,
      10,
      10,
      11,
      11,
      12,
      12,
      13,
      13,
      14,
      14,
      16,
      16,
      17,
      17,
      18,
      19,
      19,
      20,
      20,
      21,
      21,
      22,
      22
    },
    aid2 {
      9,
      16,
      15,
      15,
      15,
      7,
      7,
      11,
      23,
      35,
      36,
      10,
      11,
      24,
      12,
      13,
      25,
      26,
      14,
      15,
      17,
      27,
      18,
      28,
      19,
      20,
      18,
      29,
      30,
      21,
      31,
      22,
      32,
      23,
      33,
      23,
      34
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 9,
      above 1,
      top 10,
      bottom 11,
      below 24,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      aid {
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        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,
        30,
        31,
        32,
        33,
        34,
        35,
        36
      },
      conformers {
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          y {
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          },
          data {
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            },
            {
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                label "Energy",
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            {
              urn {
                label "Feature",
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              value fval { 35599, 10, -3 }
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            {
              urn {
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      data {
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        {
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  },
  props {
    {
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        name "MMFF94 Partial",
        datatype stringlist,
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        software "OEChem",
        source "openeye.com",
        release "2012.05.21"
      },
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    {
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      },
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      }
    }
  },
  count {
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    bond-chiral 0,
    bond-chiral-def 0,
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    covalent-unit 1,
    tautomers 2
  }
}