PC-Compound ::= {
  id {
    id cid 62367
  },
  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
    },
    element {
      o,
      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
    }
  },
  bonds {
    aid1 {
      1,
      1,
      2,
      2,
      2,
      2,
      3,
      3,
      3,
      4,
      4,
      5,
      5,
      6,
      6,
      6,
      7,
      7,
      7,
      8,
      8,
      9,
      9,
      9,
      10,
      10,
      10,
      11,
      11,
      11
    },
    aid2 {
      5,
      29,
      3,
      4,
      6,
      7,
      4,
      5,
      12,
      13,
      14,
      8,
      9,
      8,
      15,
      16,
      10,
      11,
      17,
      18,
      19,
      20,
      21,
      22,
      23,
      24,
      25,
      26,
      27,
      28
    },
    order {
      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
    }
  },
  stereo {
    tetrahedral {
      center 2,
      above 3,
      top 4,
      bottom 6,
      below 7,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 3,
      above 2,
      top 4,
      bottom 5,
      below 12,
      parity any,
      type tetrahedral
    },
    tetrahedral {
      center 5,
      above 1,
      top 3,
      bottom 8,
      below 9,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
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      },
      aid {
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        11,
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        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29
      },
      conformers {
        {
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            { -5224, 10, -4 },
            { 112, 10, -3 },
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            { -4087, 10, -4 },
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            { -16908, 10, -4 },
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            { -2975, 10, -3 },
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            { 41137, 10, -4 },
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          y {
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            { -1156, 10, -3 },
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            { -15326, 10, -4 },
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            { -9, 10, -2 },
            { -1285, 10, -4 },
            { -15469, 10, -4 },
            { 20471, 10, -4 },
            { 19556, 10, -4 },
            { 2027, 10, -3 },
            { 17945, 10, -4 }
          },
          z {
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            { -4191, 10, -4 },
            { -5112, 10, -4 },
            { 9881, 10, -4 },
            { 10455, 10, -4 },
            { 11108, 10, -4 }
          },
          data {
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                software "PubChem",
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                release "2009.12.11"
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            {
              urn {
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                name "MMFF94 NoEstat",
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                software "Szybki",
                source "openeye.com",
                release "2012.01.18"
              },
              value fval { 295726, 10, -4 }
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            {
              urn {
                label "Feature",
                name "Self Overlap",
                datatype double,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.01.18"
              },
              value fval { 20297, 10, -3 }
            },
            {
              urn {
                label "Fingerprint",
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                datatype stringlist,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.11.26"
              },
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              }
            },
            {
              urn {
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                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
              },
              value fvec {
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            {
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      data {
        {
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        {
          urn {
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  props {
    {
      urn {
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        name "MMFF94 Partial",
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        software "OEChem",
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        release "2012.02.08"
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    },
    {
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    {
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      }
    }
  },
  count {
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    atom-chiral 3,
    atom-chiral-def 0,
    atom-chiral-undef 3,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}