PC-Compounds ::= {
  {
    id {
      id cid 69245
    },
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        2,
        3,
        4,
        5,
        6,
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        10
      },
      element {
        o,
        n,
        c,
        c,
        c,
        c,
        c,
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        h,
        h
      }
    },
    bonds {
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        1,
        2,
        3,
        3,
        3,
        4,
        5,
        5,
        6
      },
      aid2 {
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      },
      order {
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        single,
        triple,
        double,
        single,
        single,
        single,
        double,
        single,
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      }
    },
    coords {
      {
        type {
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        },
        aid {
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          4,
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          6,
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          8,
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        },
        conformers {
          {
            x {
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              { 28352, 10, -4 },
              { -632, 10, -3 },
              { 2466, 10, -4 },
              { -19293, 10, -4 },
              { -17509, 10, -4 },
              { 16578, 10, -4 },
              { -3757, 10, -4 },
              { -28758, 10, -4 },
              { -24269, 10, -4 }
            },
            y {
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              { 142, 10, -4 },
              { -11541, 10, -4 },
              { -958, 10, -4 },
              { -5881, 10, -4 },
              { 7757, 10, -4 },
              { -358, 10, -4 },
              { -22043, 10, -4 },
              { -1109, 10, -3 },
              { 16182, 10, -4 }
            },
            z {
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              { -3, 10, -4 },
              { 1, 10, -4 },
              { 4, 10, -4 },
              { -2, 10, -4 },
              { -3, 10, -4 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { -4, 10, -4 },
              { -5, 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 "00010E7D00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 13152, 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 { 15223, 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",
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                  release "2012.01.18"
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              },
              {
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                  software "PubChem",
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              {
                urn {
                  label "Shape",
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                  release "2012.01.18"
                },
                value fval { 759, 10, -1 }
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        data {
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          },
          {
            urn {
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            value ivec {
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        }
      }
    },
    props {
      {
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          name "MMFF94 Partial",
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          source "openeye.com",
          release "2012.11.26"
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      },
      {
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          release "2012.01.18"
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      {
        urn {
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        },
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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
    }
  }
}