PC-Compounds ::= {
  {
    id {
      id cid 31374
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
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        9,
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      },
      element {
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        c,
        c,
        h,
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        h,
        h,
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      }
    },
    bonds {
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        2,
        2,
        2,
        3,
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        4,
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        5,
        5,
        5,
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      aid2 {
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      },
      order {
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        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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          5,
          6,
          7,
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          10,
          11,
          12,
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          14,
          15
        },
        conformers {
          {
            x {
              { 12663, 10, -4 },
              { -667, 10, -3 },
              { 7159, 10, -4 },
              { -12753, 10, -4 },
              { -16059, 10, -4 },
              { 15661, 10, -4 },
              { -5658, 10, -4 },
              { -19046, 10, -4 },
              { -19054, 10, -4 },
              { -22314, 10, -4 },
              { -1076, 10, -3 },
              { -22315, 10, -4 },
              { 2623, 10, -3 },
              { 13802, 10, -4 },
              { 13799, 10, -4 }
            },
            y {
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              { -353, 10, -4 },
              { 1509, 10, -4 },
              { -13596, 10, -4 },
              { 10836, 10, -4 },
              { -10949, 10, -4 },
              { -21856, 10, -4 },
              { -14493, 10, -4 },
              { -1449, 10, -3 },
              { 10203, 10, -4 },
              { 20394, 10, -4 },
              { 10203, 10, -4 },
              { -8087, 10, -4 },
              { -16851, 10, -4 },
              { -16852, 10, -4 }
            },
            z {
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 5, 10, -4 },
              { -8911, 10, -4 },
              { 8905, 10, -4 },
              { -8949, 10, -4 },
              { -1, 10, -4 },
              { 8949, 10, -4 },
              { -2, 10, -4 },
              { 9011, 10, -4 },
              { -9011, 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 "00007A8E00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 118023, 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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                  "29004967 10 10374995589771288221"
                }
              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
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                value fvec {
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              },
              {
                urn {
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                },
                value fval { 199391, 10, -3 }
              },
              {
                urn {
                  label "Shape",
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                  release "2012.01.18"
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                value fval { 755, 10, -1 }
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        data {
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          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
              release "2010.05.05"
            },
            value ivec {
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          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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        value fval { 1, 10, 0 }
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      {
        urn {
          label "Features",
          name "Pharmacophore",
          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
    }
  }
}