PC-Compounds ::= {
  {
    id {
      id cid 8271
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
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        18,
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        20,
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        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32
      },
      element {
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        11,
        11,
        11,
        13,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        17,
        17,
        18
      },
      aid2 {
        9,
        10,
        12,
        9,
        12,
        15,
        10,
        12,
        24,
        7,
        8,
        9,
        10,
        11,
        19,
        20,
        13,
        14,
        21,
        22,
        23,
        16,
        25,
        17,
        26,
        27,
        28,
        29,
        18,
        30,
        18,
        31,
        32
      },
      order {
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 7,
        top 8,
        bottom 9,
        below 10,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          20,
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          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32
        },
        conformers {
          {
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              { -18309, 10, -4 },
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              { -10237, 10, -4 },
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              { 6598, 10, -4 },
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              { 46979, 10, -4 }
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            y {
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              { -11871, 10, -4 },
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              { 5959, 10, -4 },
              { -28129, 10, -4 },
              { -16714, 10, -4 }
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            z {
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              { -6452, 10, -4 },
              { 538, 10, -3 },
              { -1104, 10, -4 },
              { 421, 10, -3 },
              { 19559, 10, -4 },
              { 2127, 10, -4 },
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              { 16198, 10, -4 },
              { -26788, 10, -4 },
              { -9642, 10, -4 },
              { 1169, 10, -3 },
              { 12926, 10, -4 },
              { 21155, 10, -4 },
              { 5964, 10, -4 },
              { -11516, 10, -4 },
              { 955, 10, -3 },
              { -199, 10, -3 }
            },
            data {
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                  version "2.1",
                  software "PubChem",
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                  release "2009.12.11"
                },
                value sval "0000204F00000002"
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              {
                urn {
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fval { 543177, 10, -4 }
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              {
                urn {
                  label "Feature",
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                  software "PubChem",
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                  release "2012.11.26"
                },
                value fval { 35522, 10, -3 }
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              {
                urn {
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                }
              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              {
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
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              {
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        data {
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            },
            value fval { 6, 10, -1 }
          },
          {
            urn {
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              release "2010.05.05"
            },
            value ivec {
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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"
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      },
      {
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          release "2012.11.26"
        },
        value fval { 26, 10, -1 }
      },
      {
        urn {
          label "Features",
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 2 acceptor",
          "1 3 acceptor",
          "1 5 donor",
          "6 4 5 6 9 10 12 rings",
          "6 8 13 14 16 17 18 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}