PC-Compounds ::= {
  {
    id {
      id cid 8855
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
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      },
      element {
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        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        3,
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        5,
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      },
      order {
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        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
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          4,
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          6,
          7,
          8,
          9,
          10,
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        },
        conformers {
          {
            x {
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              { 11413, 10, -4 },
              { -14742, 10, -4 },
              { -2905, 10, -4 },
              { -27994, 10, -4 },
              { 10443, 10, -4 },
              { -14361, 10, -4 },
              { -14149, 10, -4 },
              { -3339, 10, -4 },
              { -337, 10, -3 },
              { -29042, 10, -4 },
              { -36325, 10, -4 },
              { -28824, 10, -4 }
            },
            y {
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              { 13707, 10, -4 },
              { 3876, 10, -4 },
              { -5768, 10, -4 },
              { -3565, 10, -4 },
              { 1475, 10, -4 },
              { 10438, 10, -4 },
              { 10353, 10, -4 },
              { -11963, 10, -4 },
              { -12333, 10, -4 },
              { -988, 10, -3 },
              { 3532, 10, -4 },
              { -9933, 10, -4 }
            },
            z {
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              { -28, 10, -4 },
              { 18, 10, -4 },
              { 214, 10, -4 },
              { -125, 10, -4 },
              { 29, 10, -4 },
              { 8795, 10, -4 },
              { -8811, 10, -4 },
              { 9246, 10, -4 },
              { -8553, 10, -4 },
              { 8755, 10, -4 },
              { -25, 10, -3 },
              { -8991, 10, -4 }
            },
            data {
              {
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                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0000229700000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 8291, 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 { 5074, 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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              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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                  { 111, 10, -2 },
                  { 61, 10, -2 },
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                  { 22, 10, -2 },
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              },
              {
                urn {
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 202576, 10, -3 }
              },
              {
                urn {
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                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 804, 10, -1 }
              }
            }
          }
        },
        data {
          {
            urn {
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              name "RMSD",
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            },
            value fval { 4, 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",
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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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          datatype stringlist,
          parameters "ImplicitMillsDean merged",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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        }
      }
    },
    count {
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      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
    }
  }
}