PC-Compounds ::= {
  {
    id {
      id cid 29435
    },
    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
      },
      element {
        o,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11
      },
      aid2 {
        6,
        21,
        8,
        22,
        9,
        23,
        11,
        24,
        7,
        10,
        18,
        7,
        8,
        12,
        11,
        13,
        9,
        14,
        10,
        15,
        16,
        17,
        19,
        20
      },
      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
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 1,
        top 8,
        bottom 7,
        below 12,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 5,
        top 6,
        bottom 11,
        below 13,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 2,
        top 6,
        bottom 9,
        below 14,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 3,
        top 10,
        bottom 8,
        below 15,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          8,
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          10,
          11,
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          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24
        },
        conformers {
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              { -3273, 10, -3 },
              { -2684, 10, -4 },
              { -4372, 10, -4 },
              { -10583, 10, -4 },
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              { 18145, 10, -4 },
              { 11051, 10, -4 },
              { -24914, 10, -4 },
              { -5207, 10, -4 },
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              { 16564, 10, -4 },
              { 11215, 10, -4 },
              { -2576, 10, -4 },
              { -29322, 10, -4 },
              { -25364, 10, -4 },
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              { 10771, 10, -4 },
              { 35924, 10, -4 },
              { -32775, 10, -4 }
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            y {
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              { -7237, 10, -4 },
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              { -9943, 10, -4 },
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              { 17755, 10, -4 },
              { 17467, 10, -4 },
              { 17235, 10, -4 },
              { 7237, 10, -4 },
              { -18476, 10, -4 },
              { -27436, 10, -4 },
              { 11588, 10, -4 },
              { -1967, 10, -4 }
            },
            z {
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              { 4612, 10, -4 },
              { -3626, 10, -4 },
              { -2123, 10, -4 },
              { 2796, 10, -4 },
              { 2432, 10, -4 },
              { -2034, 10, -4 },
              { -1762, 10, -4 },
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              { 14045, 10, -4 },
              { 205, 10, -4 },
              { 1946, 10, -4 },
              { -873, 10, -4 },
              { -11809, 10, -4 }
            },
            data {
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                  release "2009.12.11"
                },
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              {
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                  source "openeye.com",
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              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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                },
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              {
                urn {
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                  "63268167 104 18410291376577824025",
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                }
              },
              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              },
              {
                urn {
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                  software "PubChem",
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              {
                urn {
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        data {
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            urn {
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            },
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          },
          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
              release "2010.05.05"
            },
            value ivec {
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        }
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    },
    props {
      {
        urn {
          label "Charge",
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          datatype stringlist,
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      {
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      {
        urn {
          label "Features",
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          "1 4 acceptor",
          "1 4 donor",
          "1 5 cation",
          "1 5 donor",
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        }
      }
    },
    count {
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      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}