PC-Compounds ::= {
  {
    id {
      id cid 10877097
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
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        18,
        19,
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      },
      element {
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        c,
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        c,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        3,
        4,
        4,
        4,
        4,
        5,
        5,
        6,
        6,
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        7,
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        8,
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      },
      aid2 {
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        6,
        19,
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        20,
        5,
        6,
        7,
        9,
        8,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17
      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 4,
        above 5,
        top 7,
        bottom 6,
        below 9,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 5,
        above 1,
        top 4,
        bottom 8,
        below 10,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          18,
          19,
          20
        },
        conformers {
          {
            x {
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              { 30867, 10, -4 },
              { -6882, 10, -4 },
              { 7073, 10, -4 },
              { -17972, 10, -4 },
              { -10033, 10, -4 },
              { 18498, 10, -4 },
              { -719, 10, -3 },
              { 7617, 10, -4 },
              { -16134, 10, -4 },
              { -18816, 10, -4 },
              { -3002, 10, -4 },
              { -9501, 10, -4 },
              { -2004, 10, -3 },
              { 1847, 10, -3 },
              { 18019, 10, -4 },
              { 17752, 10, -4 },
              { -29712, 10, -4 },
              { 37946, 10, -4 }
            },
            y {
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              { -2844, 10, -4 },
              { 877, 10, -4 },
              { 2722, 10, -4 },
              { -1951, 10, -4 },
              { -6484, 10, -4 },
              { 17173, 10, -4 },
              { 6197, 10, -4 },
              { 2165, 10, -4 },
              { -1418, 10, -4 },
              { -16969, 10, -4 },
              { -574, 10, -3 },
              { 24184, 10, -4 },
              { 18461, 10, -4 },
              { 20174, 10, -4 },
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              { 16715, 10, -4 },
              { -18318, 10, -4 },
              { -3806, 10, -4 },
              { 6173, 10, -4 }
            },
            z {
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              { 2486, 10, -4 },
              { -1228, 10, -4 },
              { 2146, 10, -4 },
              { -2617, 10, -4 },
              { -32, 10, -2 },
              { -1849, 10, -4 },
              { 3431, 10, -4 },
              { 13114, 10, -4 },
              { -1356, 10, -3 },
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              { 502, 10, -4 },
              { -2308, 10, -4 },
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              { 2821, 10, -4 }
            },
            data {
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00A5F8A900000001"
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              {
                urn {
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              {
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 35532, 10, -3 }
              },
              {
                urn {
                  label "Fingerprint",
                  name "Shape",
                  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",
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                value fvec {
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              },
              {
                urn {
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 264329, 10, -3 }
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              {
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                  label "Shape",
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                  release "2012.11.26"
                },
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            }
          }
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        data {
          {
            urn {
              label "Conformer",
              name "RMSD",
              datatype double,
              release "2009.12.11"
            },
            value fval { 6, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
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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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        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}