PC-Compounds ::= {
  {
    id {
      id cid 7499
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
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        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        1,
        2,
        2,
        2,
        3,
        3,
        3,
        4,
        4,
        4,
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        15,
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        16,
        17,
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      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 1,
        above 2,
        top 3,
        bottom 7,
        below 9,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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        },
        conformers {
          {
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              { 1388, 10, -4 },
              { 15675, 10, -4 },
              { 16216, 10, -4 },
              { 22617, 10, -4 },
              { -20186, 10, -4 },
              { -31041, 10, -4 },
              { -6341, 10, -4 },
              { 1939, 10, -4 },
              { -3866, 10, -4 },
              { -2523, 10, -4 },
              { -375, 10, -4 },
              { 21527, 10, -4 },
              { 15403, 10, -4 },
              { 21905, 10, -4 },
              { 33347, 10, -4 },
              { -21588, 10, -4 },
              { -40959, 10, -4 },
              { -30264, 10, -4 }
            },
            y {
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              { 12931, 10, -4 },
              { -12962, 10, -4 },
              { 11949, 10, -4 },
              { 319, 10, -4 },
              { 356, 10, -4 },
              { -285, 10, -4 },
              { -949, 10, -4 },
              { -11735, 10, -4 },
              { -21528, 10, -4 },
              { 21099, 10, -4 },
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              { -20029, 10, -4 },
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              { 366, 10, -4 },
              { 1202, 10, -4 },
              { 51, 10, -4 },
              { -115, 10, -3 }
            },
            z {
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              { -3912, 10, -4 },
              { -1952, 10, -4 },
              { 1728, 10, -4 },
              { 138, 10, -4 },
              { 1944, 10, -4 },
              { -3632, 10, -4 },
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              { -14877, 10, -4 },
              { -1457, 10, -4 },
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              { 203, 10, -4 },
              { 3616, 10, -4 },
              { -14383, 10, -4 },
              { -224, 10, -4 },
              { 14931, 10, -4 }
            },
            data {
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                  name "ID",
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00001D4B00000001"
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              {
                urn {
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                  name "MMFF94 NoEstat",
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                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 2477, 10, -3 }
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              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 10148, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
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                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
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                  "23552333 60 18342740689149549528",
                  "23552423 10 18043817489413918718",
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              },
              {
                urn {
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                  software "OEShape",
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                },
                value fvec {
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              {
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                },
                value fval { 319467, 10, -3 }
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              {
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                  release "2012.01.18"
                },
                value fval { 976, 10, -1 }
              }
            }
          }
        },
        data {
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            },
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          },
          {
            urn {
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              release "2010.05.05"
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            value ivec {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      },
      {
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          release "2012.01.18"
        },
        value fval { 18, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
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          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}