PC-Compounds ::= {
  {
    id {
      id cid 5251503
    },
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        2,
        3,
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        5,
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      },
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        c,
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      }
    },
    bonds {
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        2,
        3,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          15
        },
        conformers {
          {
            x {
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              { -27994, 10, -4 },
              { -5201, 10, -4 },
              { 18248, 10, -4 },
              { -1872, 10, -3 },
              { 658, 10, -3 },
              { 1935, 10, -3 },
              { -4565, 10, -4 },
              { -20247, 10, -4 },
              { -20222, 10, -4 },
              { 26952, 10, -4 },
              { 14581, 10, -4 },
              { 14454, 10, -4 },
              { 29942, 10, -4 },
              { -25648, 10, -4 }
            },
            y {
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              { -7749, 10, -4 },
              { -2356, 10, -4 },
              { -2501, 10, -4 },
              { 2966, 10, -4 },
              { 4913, 10, -4 },
              { -16959, 10, -4 },
              { -12468, 10, -4 },
              { 8889, 10, -4 },
              { 9249, 10, -4 },
              { 273, 10, -3 },
              { -20922, 10, -4 },
              { -20982, 10, -4 },
              { -19632, 10, -4 },
              { -1338, 10, -3 }
            },
            z {
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              { 91, 10, -4 },
              { -56, 10, -4 },
              { 27, 10, -4 },
              { -89, 10, -4 },
              { 7, 10, -4 },
              { -11, 10, -4 },
              { -166, 10, -4 },
              { -9152, 10, -4 },
              { 8737, 10, -4 },
              { 63, 10, -4 },
              { -9012, 10, -4 },
              { 8895, 10, -4 },
              { 56, 10, -4 },
              { 766, 10, -3 }
            },
            data {
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                urn {
                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "005021AF00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 74129, 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 { 25455, 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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                }
              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
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              },
              {
                urn {
                  label "Shape",
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                  software "PubChem",
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                  release "2012.01.18"
                },
                value fval { 22508, 10, -2 }
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              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
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              }
            }
          }
        },
        data {
          {
            urn {
              label "Conformer",
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              release "2009.12.11"
            },
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          },
          {
            urn {
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            }
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    },
    props {
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          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
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        }
      },
      {
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          release "2012.01.18"
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        value fval { 3, 10, 0 }
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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"
        },
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          "1 2 donor",
          "1 3 donor",
          "1 4 donor"
        }
      }
    },
    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 3
    }
  }
}