PC-Compound ::= {
  id {
    id cid 498002
  },
  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,
      37,
      38,
      39,
      40,
      41,
      42
    },
    element {
      o,
      n,
      n,
      c,
      c,
      c,
      c,
      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,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      2,
      2,
      2,
      3,
      3,
      3,
      4,
      4,
      5,
      5,
      5,
      6,
      6,
      6,
      7,
      7,
      7,
      8,
      8,
      8,
      9,
      9,
      10,
      10,
      10,
      11,
      11,
      11,
      12,
      12,
      13,
      13,
      15,
      15,
      16,
      17,
      17,
      17,
      18,
      19,
      19,
      20,
      20,
      21,
      21,
      22
    },
    aid2 {
      14,
      4,
      12,
      17,
      4,
      14,
      16,
      5,
      6,
      8,
      10,
      13,
      7,
      9,
      23,
      11,
      15,
      24,
      9,
      25,
      26,
      27,
      28,
      14,
      29,
      30,
      12,
      31,
      32,
      33,
      34,
      18,
      35,
      16,
      19,
      20,
      18,
      36,
      37,
      38,
      21,
      39,
      22,
      40,
      22,
      41,
      42
    },
    order {
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 4,
      above 2,
      top 3,
      bottom 5,
      below 6,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 5,
      above 4,
      top 8,
      bottom 10,
      below 13,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 6,
      above 4,
      top 7,
      bottom 9,
      below 23,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 7,
      above 6,
      top 11,
      bottom 15,
      below 24,
      parity clockwise,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
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        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42
      },
      conformers {
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          y {
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          z {
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            { 3161, 10, -4 },
            { -673, 10, -3 }
          },
          data {
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            {
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            {
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            {
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      data {
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        {
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          value ivec {
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  },
  props {
    {
      urn {
        label "Charge",
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    },
    {
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  },
  count {
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    atom-chiral-undef 2,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 2
  }
}