PC-Compound ::= {
  id {
    id cid 3804890
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
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      15,
      16,
      17,
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      20,
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      52,
      53
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    element {
      o,
      n,
      n,
      n,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
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      c,
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      c,
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      h,
      h,
      h,
      h,
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      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    },
    charge {
      {
        aid 2,
        value 1
      }
    }
  },
  bonds {
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      1,
      2,
      2,
      2,
      3,
      3,
      4,
      4,
      5,
      5,
      5,
      6,
      7,
      7,
      7,
      8,
      10,
      10,
      11,
      11,
      11,
      12,
      12,
      12,
      13,
      13,
      13,
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      16,
      17,
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      18,
      19,
      19,
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      20,
      20,
      21,
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      21,
      22,
      22,
      23,
      23,
      24,
      25,
      25,
      26,
      26,
      27,
      27,
      28,
      28,
      29
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    aid2 {
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      3,
      8,
      12,
      9,
      10,
      7,
      15,
      6,
      14,
      19,
      16,
      8,
      9,
      30,
      11,
      17,
      18,
      31,
      32,
      33,
      34,
      35,
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      14,
      15,
      16,
      20,
      37,
      21,
      22,
      38,
      23,
      39,
      25,
      26,
      40,
      41,
      42,
      43,
      44,
      45,
      24,
      46,
      24,
      47,
      48,
      27,
      49,
      28,
      50,
      29,
      51,
      29,
      52,
      53
    },
    order {
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      single,
      double,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
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      single,
      single,
      single,
      single,
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      single,
      single,
      single,
      single,
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      single,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 7,
      above 4,
      top 8,
      bottom 9,
      below 30,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      aid {
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        3,
        4,
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        6,
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        8,
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        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53
      },
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          z {
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          data {
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              value sval "003A0EDA00000012"
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            {
              urn {
                label "Energy",
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            {
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                label "Feature",
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            {
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            {
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                source "openeye.com",
                release "2012.11.26"
              },
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                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.11.26"
              },
              value fval { 123194, 10, -2 }
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            {
              urn {
                label "Shape",
                name "Volume",
                datatype double,
                version "1.8.3",
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      data {
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        {
          urn {
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          value ivec {
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  },
  props {
    {
      urn {
        label "Charge",
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        release "2012.02.08"
      },
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    {
      urn {
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      },
      value slist {
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        "5 2 3 7 8 9 rings",
        "5 5 6 13 14 16 rings",
        "6 10 17 18 22 23 24 rings",
        "6 19 25 26 27 28 29 rings"
      }
    }
  },
  count {
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    atom-chiral 1,
    atom-chiral-def 0,
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    bond-chiral 0,
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    covalent-unit 1,
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  }
}