PC-Compounds ::= {
  {
    id {
      id cid 2724964
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21
      },
      element {
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        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        4,
        4,
        4,
        5,
        5,
        6,
        6,
        6,
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        9,
        5,
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        8,
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        7,
        9,
        12,
        13,
        14,
        10,
        16,
        17,
        18,
        19,
        20
      },
      order {
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        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 5,
        above 1,
        top 4,
        bottom 8,
        below 11,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 6,
        above 4,
        top 9,
        bottom 7,
        below 12,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          11,
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          15,
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          18,
          19,
          20,
          21
        },
        conformers {
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              { -1125, 10, -4 },
              { -1411, 10, -3 },
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              { 5073, 10, -4 },
              { -25305, 10, -4 },
              { 22128, 10, -4 },
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            y {
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              { 2432, 10, -4 },
              { 14491, 10, -4 },
              { -8943, 10, -4 },
              { -3275, 10, -4 },
              { -2106, 10, -4 },
              { -967, 10, -4 },
              { 4877, 10, -4 },
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              { -1124, 10, -3 },
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              { 7272, 10, -4 },
              { -8632, 10, -4 },
              { 2166, 10, -4 }
            },
            z {
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              { -456, 10, -3 },
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              { -1127, 10, -4 }
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            data {
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              {
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                  source "openeye.com",
                  release "2012.01.18"
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                value fval { 90314, 10, -4 }
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              {
                urn {
                  label "Feature",
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                  version "2.1",
                  software "PubChem",
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                  release "2012.01.18"
                },
                value fval { 35576, 10, -3 }
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              {
                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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              {
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              {
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              {
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                  release "2012.01.18"
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        data {
          {
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            },
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          {
            urn {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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      {
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      {
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        },
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          "1 4 donor",
          "3 2 3 9 anion",
          "5 1 4 5 6 7 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 1,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}