PC-Compounds ::= {
  {
    id {
      id cid 8060
    },
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        h,
        h,
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        h,
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      }
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      },
      order {
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        single,
        single,
        single,
        single,
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      }
    },
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          18,
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        },
        conformers {
          {
            x {
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              { -6431, 10, -4 },
              { 6675, 10, -4 },
              { -18544, 10, -4 },
              { 18758, 10, -4 },
              { -31586, 10, -4 },
              { -6747, 10, -4 },
              { -6854, 10, -4 },
              { 7051, 10, -4 },
              { 6974, 10, -4 },
              { -18196, 10, -4 },
              { -18295, 10, -4 },
              { 18564, 10, -4 },
              { 18521, 10, -4 },
              { -40114, 10, -4 },
              { -32398, 10, -4 },
              { -32294, 10, -4 },
              { 31592, 10, -4 },
              { 39079, 10, -4 }
            },
            y {
              { -234, 10, -3 },
              { 3925, 10, -4 },
              { -3975, 10, -4 },
              { -5396, 10, -4 },
              { 5373, 10, -4 },
              { 2414, 10, -4 },
              { 10494, 10, -4 },
              { 10363, 10, -4 },
              { -10367, 10, -4 },
              { -10603, 10, -4 },
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              { -11666, 10, -4 },
              { 11638, 10, -4 },
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            },
            z {
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              { -7, 10, -4 },
              { -51, 10, -4 },
              { 161, 10, -4 },
              { 14, 10, -3 },
              { -131, 10, -4 },
              { 8771, 10, -4 },
              { -8877, 10, -4 },
              { -8963, 10, -4 },
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              { -8494, 10, -4 },
              { 9149, 10, -4 },
              { 9125, 10, -4 },
              { -8566, 10, -4 },
              { 5, 10, -4 },
              { 856, 10, -3 },
              { -918, 10, -3 },
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              { 543, 10, -4 }
            },
            data {
              {
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                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00001F7C00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { -66868, 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 { 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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                }
              },
              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
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                  { 12, 10, -2 },
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                  { -4, 10, -2 },
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              },
              {
                urn {
                  label "Shape",
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 198943, 10, -3 }
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              {
                urn {
                  label "Shape",
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                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 801, 10, -1 }
              }
            }
          }
        },
        data {
          {
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          },
          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
              release "2012.02.08"
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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"
        },
        value slist {
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          "19 0.36",
          "5 0.27"
        }
      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
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      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 1 donor",
          "1 6 hydrophobe"
        }
      }
    },
    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
    }
  }
}