PC-Compound ::= {
  id {
    id cid 4167211
  },
  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
    },
    element {
      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 1,
        value -1
      },
      {
        aid 3,
        value -1
      },
      {
        aid 5,
        value 1
      },
      {
        aid 6,
        value 1
      }
    }
  },
  bonds {
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      2,
      3,
      4,
      5,
      6,
      7,
      7,
      7,
      8,
      8,
      8,
      9,
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      10,
      10,
      10,
      11,
      11,
      11,
      12,
      12,
      13,
      13,
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      15,
      15
    },
    aid2 {
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      5,
      6,
      6,
      7,
      16,
      8,
      9,
      10,
      11,
      17,
      18,
      12,
      13,
      19,
      20,
      21,
      22,
      23,
      24,
      14,
      25,
      15,
      26,
      16,
      27,
      16,
      28
    },
    order {
      single,
      double,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 7,
      above 5,
      top 8,
      bottom 9,
      below 10,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
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        units-angstroms
      },
      aid {
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        3,
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        18,
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        20,
        21,
        22,
        23,
        24,
        25,
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      },
      conformers {
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          y {
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          z {
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            { 21605, 10, -4 }
          },
          data {
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              },
              value sval "003F962B00000001"
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            {
              urn {
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                name "MMFF94 NoEstat",
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            {
              urn {
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            {
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            {
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                source "openeye.com",
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              },
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            {
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      data {
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        {
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  props {
    {
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    },
    {
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        "1 3 acceptor",
        "1 3 anion",
        "1 4 acceptor",
        "6 9 12 13 14 15 16 rings"
      }
    }
  },
  count {
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    atom-chiral 1,
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    bond-chiral 0,
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    bond-chiral-undef 0,
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    covalent-unit 1,
    tautomers 1
  }
}