PC-Compound ::= {
  id {
    id cid 12232
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10
    },
    element {
      s,
      s,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      1,
      2,
      3,
      3,
      3,
      4,
      4,
      4
    },
    aid2 {
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      aid {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10
      },
      conformers {
        {
          x {
            { -8543, 10, -4 },
            { 8542, 10, -4 },
            { -1857, 10, -3 },
            { 18571, 10, -4 },
            { -13583, 10, -4 },
            { -28149, 10, -4 },
            { -2055, 10, -3 },
            { 13585, 10, -4 },
            { 28149, 10, -4 },
            { 20551, 10, -4 }
          },
          y {
            { -6262, 10, -4 },
            { -6263, 10, -4 },
            { 6262, 10, -4 },
            { 6262, 10, -4 },
            { 15989, 10, -4 },
            { 7197, 10, -4 },
            { 3337, 10, -4 },
            { 15988, 10, -4 },
            { 7195, 10, -4 },
            { 3336, 10, -4 }
          },
          z {
            { 5724, 10, -4 },
            { -5724, 10, -4 },
            { -2633, 10, -4 },
            { 2633, 10, -4 },
            { -2396, 10, -4 },
            { 2558, 10, -4 },
            { -1298, 10, -3 },
            { 2396, 10, -4 },
            { -2559, 10, -4 },
            { 12979, 10, -4 }
          },
          data {
            {
              urn {
                label "Conformer",
                name "ID",
                datatype uint64,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2009.12.11"
              },
              value sval "00002FC800000001"
            },
            {
              urn {
                label "Energy",
                name "MMFF94 NoEstat",
                datatype double,
                version "1.6.0",
                software "Szybki",
                source "openeye.com",
                release "2012.01.18"
              },
              value fval { -39124, 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 { 10149, 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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                "5943 1 15013755574188084483"
              }
            },
            {
              urn {
                label "Shape",
                name "Multipoles",
                datatype doublevec,
                version "1.8.1",
                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
              },
              value fvec {
                { 9002, 10, -2 },
                { 263, 10, -2 },
                { 105, 10, -2 },
                { 87, 10, -2 },
                { 0, 10, 0 },
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                { 0, 10, 0 },
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                { 0, 10, 0 },
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                { 33, 10, -2 }
              }
            },
            {
              urn {
                label "Shape",
                name "Self Overlap",
                datatype double,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.01.18"
              },
              value fval { 123296, 10, -3 }
            },
            {
              urn {
                label "Shape",
                name "Volume",
                datatype double,
                version "1.8.1",
                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
              },
              value fval { 723, 10, -1 }
            }
          }
        }
      },
      data {
        {
          urn {
            label "Conformer",
            name "RMSD",
            datatype double,
            release "2009.12.11"
          },
          value fval { 4, 10, -1 }
        },
        {
          urn {
            label "Diverse Conformer",
            name "ID List",
            datatype uintvec,
            release "2010.05.05"
          },
          value ivec {
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            3,
            5,
            4,
            2
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
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        "3 0.23",
        "4 0.23"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.01.18"
      },
      value fval { 1, 10, 0 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
        "2",
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        "1 4 hydrophobe"
      }
    }
  },
  count {
    heavy-atom 4,
    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
  }
}