PC-Compounds ::= {
  {
    id {
      id cid 7303
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10
      },
      element {
        o,
        o,
        o,
        c,
        c,
        c,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        4,
        4,
        4,
        5,
        5
      },
      aid2 {
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        5,
        6,
        6,
        5,
        7,
        8,
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        10
      },
      order {
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        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10
        },
        conformers {
          {
            x {
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              { -183, 10, -4 },
              { 19822, 10, -4 },
              { -13529, 10, -4 },
              { -13532, 10, -4 },
              { 7603, 10, -4 },
              { -20651, 10, -4 },
              { -15483, 10, -4 },
              { -20651, 10, -4 },
              { -15495, 10, -4 }
            },
            y {
              { 11195, 10, -4 },
              { -11196, 10, -4 },
              { -1, 10, -4 },
              { 7276, 10, -4 },
              { -7274, 10, -4 },
              { -1, 10, -4 },
              { 13016, 10, -4 },
              { 9066, 10, -4 },
              { -13012, 10, -4 },
              { -9063, 10, -4 }
            },
            z {
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              { 1115, 10, -4 },
              { 4, 10, -4 },
              { 1723, 10, -4 },
              { -1718, 10, -4 },
              { -3, 10, -4 },
              { -4263, 10, -4 },
              { 12348, 10, -4 },
              { 4274, 10, -4 },
              { -12342, 10, -4 }
            },
            data {
              {
                urn {
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                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00001C8700000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 56969, 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"
                },
                value slist {
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                  "20096714 4 18339364037269224664",
                  "21015797 1 9366470735157843915",
                  "21040471 1 18195246620221497097",
                  "29004967 10 15574715789672964992",
                  "5943 1 12459379124309344357"
                }
              },
              {
                urn {
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                  datatype doublevec,
                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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                  { 112, 10, -2 },
                  { 58, 10, -2 },
                  { 53, 10, -2 },
                  { 0, 10, 0 },
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                  { 0, 10, 0 },
                  { -6, 10, -2 }
                }
              },
              {
                urn {
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                  datatype double,
                  version "2.1",
                  software "PubChem",
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                  release "2012.01.18"
                },
                value fval { 2115, 10, -1 }
              },
              {
                urn {
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                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 636, 10, -1 }
              }
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          }
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        data {
          {
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            },
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          },
          {
            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",
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          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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        }
      },
      {
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      {
        urn {
          label "Features",
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          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
    }
  }
}