PC-Compounds ::= {
  {
    id {
      id cid 8082
    },
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      }
    },
    bonds {
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        2,
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      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
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        type {
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        },
        aid {
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          8,
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          13,
          14,
          15,
          16,
          17
        },
        conformers {
          {
            x {
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              { -14683, 10, -4 },
              { -7175, 10, -4 },
              { -7139, 10, -4 },
              { 7408, 10, -4 },
              { 7441, 10, -4 },
              { -24775, 10, -4 },
              { -15785, 10, -4 },
              { -1209, 10, -3 },
              { -7609, 10, -4 },
              { -7569, 10, -4 },
              { -12031, 10, -4 },
              { 8004, 10, -4 },
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              { 12704, 10, -4 },
              { 8036, 10, -4 },
              { 23798, 10, -4 }
            },
            y {
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              { -2, 10, -3 },
              { 12528, 10, -4 },
              { -12547, 10, -4 },
              { 12104, 10, -4 },
              { -12084, 10, -4 },
              { -34, 10, -4 },
              { -23, 10, -4 },
              { 21403, 10, -4 },
              { 13435, 10, -4 },
              { -13452, 10, -4 },
              { -21436, 10, -4 },
              { 12682, 10, -4 },
              { 20872, 10, -4 },
              { -20838, 10, -4 },
              { -12657, 10, -4 },
              { 32, 10, -4 }
            },
            z {
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              { -2153, 10, -4 },
              { 2192, 10, -4 },
              { 2194, 10, -4 },
              { -2331, 10, -4 },
              { -2334, 10, -4 },
              { 2107, 10, -4 },
              { -13067, 10, -4 },
              { -1951, 10, -4 },
              { 1312, 10, -3 },
              { 13122, 10, -4 },
              { -1944, 10, -4 },
              { -13268, 10, -4 },
              { 1628, 10, -4 },
              { 1622, 10, -4 },
              { -13271, 10, -4 },
              { -86, 10, -3 }
            },
            data {
              {
                urn {
                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00001F9200000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { -5994, 10, -3 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 15223, 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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                  "21040471 1 18410575071862741965"
                }
              },
              {
                urn {
                  label "Shape",
                  name "Multipoles",
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                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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              },
              {
                urn {
                  label "Shape",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 221178, 10, -3 }
              },
              {
                urn {
                  label "Shape",
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                  datatype double,
                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 711, 10, -1 }
              }
            }
          }
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        data {
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            urn {
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              name "RMSD",
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          },
          {
            urn {
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              name "ID List",
              datatype uintvec,
              release "2010.05.05"
            },
            value ivec {
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        }
      }
    },
    props {
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        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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        }
      },
      {
        urn {
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          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
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      },
      {
        urn {
          label "Features",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "1 1 donor",
          "6 1 2 3 4 5 6 rings"
        }
      }
    },
    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
    }
  }
}