PC-Compounds ::= {
  {
    id {
      id cid 9253
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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      },
      element {
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        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
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        h
      }
    },
    bonds {
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        1,
        1,
        1,
        2,
        2,
        2,
        3,
        3,
        3,
        4,
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      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        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,
          11,
          12,
          13,
          14,
          15
        },
        conformers {
          {
            x {
              { -10551, 10, -4 },
              { -9716, 10, -4 },
              { 2952, 10, -4 },
              { 4469, 10, -4 },
              { 12846, 10, -4 },
              { -11742, 10, -4 },
              { -18887, 10, -4 },
              { -11092, 10, -4 },
              { -1724, 10, -3 },
              { 5683, 10, -4 },
              { 2713, 10, -4 },
              { 821, 10, -3 },
              { 4759, 10, -4 },
              { 18979, 10, -4 },
              { 19655, 10, -4 }
            },
            y {
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              { 7805, 10, -4 },
              { -12327, 10, -4 },
              { 11915, 10, -4 },
              { -814, 10, -4 },
              { -6896, 10, -4 },
              { -1202, 10, -3 },
              { 8265, 10, -4 },
              { 1422, 10, -3 },
              { -21041, 10, -4 },
              { -15481, 10, -4 },
              { 19934, 10, -4 },
              { 1556, 10, -3 },
              { -2164, 10, -4 },
              { -323, 10, -4 }
            },
            z {
              { 2446, 10, -4 },
              { -2349, 10, -4 },
              { -1536, 10, -4 },
              { 1309, 10, -4 },
              { 13, 10, -3 },
              { 1334, 10, -3 },
              { -2082, 10, -4 },
              { -13217, 10, -4 },
              { 2327, 10, -4 },
              { 4489, 10, -4 },
              { -12036, 10, -4 },
              { -5127, 10, -4 },
              { 11648, 10, -4 },
              { 9106, 10, -4 },
              { -8435, 10, -4 }
            },
            data {
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                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0000242500000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 15477, 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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                  "21015797 1 9286753934404286723",
                  "21040471 1 18121217580275734301",
                  "5943 1 13003490908672847703"
                }
              },
              {
                urn {
                  label "Shape",
                  name "Multipoles",
                  datatype doublevec,
                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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              },
              {
                urn {
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 193452, 10, -3 }
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              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 625, 10, -1 }
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          }
        },
        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 "2010.05.05"
            },
            value ivec {
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          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
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          source "openeye.com",
          release "2012.11.26"
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        value slist {
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          source "ncbi.nlm.nih.gov",
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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 {
      heavy-atom 5,
      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
    }
  }
}