PC-Compounds ::= {
  {
    id {
      id cid 81714
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9
      },
      element {
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        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        1,
        2,
        2,
        3,
        3
      },
      aid2 {
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        4,
        5,
        6,
        3,
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        8,
        9
      },
      order {
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        single,
        single,
        single,
        double,
        single,
        single,
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      }
    },
    coords {
      {
        type {
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        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
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        },
        conformers {
          {
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              { -1995, 10, -4 },
              { -13084, 10, -4 },
              { 1748, 10, -3 },
              { 24841, 10, -4 },
              { 17477, 10, -4 },
              { -2918, 10, -4 },
              { -22843, 10, -4 },
              { -12796, 10, -4 }
            },
            y {
              { 183, 10, -3 },
              { -4649, 10, -4 },
              { 2818, 10, -4 },
              { 10157, 10, -4 },
              { -9359, 10, -4 },
              { 10168, 10, -4 },
              { -15461, 10, -4 },
              { -1927, 10, -4 },
              { 13666, 10, -4 }
            },
            z {
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              { 0, 10, 0 },
              { 0, 10, 0 },
              { -12062, 10, -4 },
              { 7, 10, -4 },
              { 12056, 10, -4 },
              { 0, 10, 0 },
              { -1, 10, -4 },
              { 0, 10, 0 }
            },
            data {
              {
                urn {
                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00013F3200000001"
              },
              {
                urn {
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                  name "MMFF94 NoEstat",
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 13089, 10, -4 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 0, 10, 0 }
              },
              {
                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",
                  release "2012.01.18"
                },
                value fvec {
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                  { 86, 10, -2 },
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                }
              },
              {
                urn {
                  label "Shape",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 117342, 10, -3 }
              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
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                  release "2012.01.18"
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                value fval { 615, 10, -1 }
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        },
        data {
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            value fval { 4, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              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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          "3 -0.3",
          "4 -0.2",
          "5 -0.2",
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      },
      {
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          source "ncbi.nlm.nih.gov",
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      {
        urn {
          label "Features",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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      }
    },
    count {
      heavy-atom 3,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}