PC-Compounds ::= {
  {
    id {
      id cid 20377074
    },
    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
      },
      element {
        cl,
        cl,
        cl,
        cl,
        cl,
        cl,
        cl,
        cl,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        13,
        13,
        14,
        16,
        16,
        17,
        17
      },
      aid2 {
        9,
        11,
        12,
        12,
        14,
        15,
        16,
        17,
        10,
        12,
        14,
        13,
        16,
        18,
        12,
        13,
        15,
        19,
        20,
        15,
        17,
        21,
        22,
        23
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 1,
        top 10,
        bottom 12,
        below 14,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 9,
        top 13,
        bottom 16,
        below 18,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 2,
        top 12,
        bottom 13,
        below 15,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 7,
        top 10,
        bottom 17,
        below 21,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          4,
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          11,
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          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23
        },
        conformers {
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              { -14916, 10, -4 },
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              { 2737, 10, -3 }
            },
            y {
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              { 47, 10, -2 },
              { -17881, 10, -4 },
              { -12199, 10, -4 },
              { -3816, 10, -4 }
            },
            z {
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              { 18654, 10, -4 },
              { 8391, 10, -4 },
              { -12401, 10, -4 },
              { -24615, 10, -4 },
              { -1067, 10, -4 },
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              { 151, 10, -3 },
              { -5659, 10, -4 },
              { -15708, 10, -4 }
            },
            data {
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                  release "2012.01.18"
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              {
                urn {
                  label "Feature",
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                  software "PubChem",
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                  release "2012.01.18"
                },
                value fval { 5074, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
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              },
              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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              {
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              {
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        data {
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          {
            urn {
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              datatype uintvec,
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    },
    props {
      {
        urn {
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          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
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        },
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      {
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          release "2012.11.26"
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    },
    count {
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      atom-chiral 4,
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      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
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}