PC-Compounds ::= {
  {
    id {
      id cid 10132
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10
      },
      element {
        o,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        4,
        5,
        6,
        6
      },
      aid2 {
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        9,
        8,
        10,
        6,
        7,
        8,
        7,
        8
      },
      order {
        single,
        single,
        single,
        single,
        double,
        double,
        double,
        single,
        single
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10
        },
        conformers {
          {
            x {
              { 23286, 10, -4 },
              { -23187, 10, -4 },
              { -479, 10, -4 },
              { 14259, 10, -4 },
              { -13928, 10, -4 },
              { -64, 10, -4 },
              { 13298, 10, -4 },
              { -13186, 10, -4 },
              { 32107, 10, -4 },
              { -32, 10, -1 }
            },
            y {
              { 6544, 10, -4 },
              { 6278, 10, -4 },
              { 16817, 10, -4 },
              { -14494, 10, -4 },
              { -1474, 10, -3 },
              { 4608, 10, -4 },
              { -2386, 10, -4 },
              { -2626, 10, -4 },
              { 2255, 10, -4 },
              { 1971, 10, -4 }
            },
            z {
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              { -3, 10, -3 },
              { 13, 10, -4 },
              { 65, 10, -4 },
              { -97, 10, -4 },
              { 77, 10, -4 },
              { 18, 10, -4 },
              { 58, 10, -4 },
              { -152, 10, -4 },
              { -159, 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 "0000279400000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "2.1.0",
                  software "Szybki TK",
                  source "OpenEye Scientific Software",
                  release "2019.06.18"
                },
                value fval { 9712, 10, -3 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2019.06.18"
                },
                value fval { 35663, 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 "Shape TK",
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                  release "2019.06.18"
                },
                value fvec {
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              },
              {
                urn {
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2019.06.18"
                },
                value fval { 267082, 10, -3 }
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              {
                urn {
                  label "Shape",
                  name "Volume",
                  datatype double,
                  version "2.0.4",
                  software "Shape TK",
                  source "OpenEye Scientific Software",
                  release "2019.06.18"
                },
                value fval { 794, 10, -1 }
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            }
          }
        },
        data {
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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",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
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          "4 -0.57",
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      },
      {
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        value fval { 2, 10, 0 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
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          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
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          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "3 1 4 7 anion",
          "3 2 5 8 anion"
        }
      }
    },
    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
    }
  }
}