PC-Compounds ::= {
  {
    id {
      id cid 51
    },
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        2,
        3,
        4,
        5,
        6,
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        o,
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        c,
        c,
        c,
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        h,
        h,
        h,
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      }
    },
    bonds {
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      order {
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        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
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        },
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          10,
          11,
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        },
        conformers {
          {
            x {
              { 37402, 10, -4 },
              { -12693, 10, -4 },
              { 27936, 10, -4 },
              { -35037, 10, -4 },
              { -23867, 10, -4 },
              { 1517, 10, -4 },
              { 13699, 10, -4 },
              { -11592, 10, -4 },
              { 26775, 10, -4 },
              { -2414, 10, -3 },
              { 1833, 10, -4 },
              { 1668, 10, -4 },
              { 13614, 10, -4 },
              { 13362, 10, -4 },
              { 45921, 10, -4 },
              { -43343, 10, -4 }
            },
            y {
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              { -16692, 10, -4 },
              { 13637, 10, -4 },
              { -3863, 10, -4 },
              { 1609, 10, -3 },
              { 3062, 10, -4 },
              { -6143, 10, -4 },
              { -4522, 10, -4 },
              { 1465, 10, -4 },
              { 3946, 10, -4 },
              { 9525, 10, -4 },
              { 9439, 10, -4 },
              { -12357, 10, -4 },
              { -1274, 10, -3 },
              { -2119, 10, -4 },
              { 1353, 10, -4 }
            },
            z {
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              { -205, 10, -4 },
              { -282, 10, -4 },
              { 216, 10, -4 },
              { 221, 10, -4 },
              { -298, 10, -4 },
              { -356, 10, -4 },
              { -114, 10, -4 },
              { 18, 10, -4 },
              { 134, 10, -4 },
              { 8551, 10, -4 },
              { -921, 10, -3 },
              { -9383, 10, -4 },
              { 8393, 10, -4 },
              { 877, 10, -4 },
              { 369, 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 "0000003300000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.7.2",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fval { 100469, 10, -4 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 3565, 10, -2 }
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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 {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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                  { -3, 10, -2 }
                }
              },
              {
                urn {
                  label "Shape",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 341128, 10, -3 }
              },
              {
                urn {
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                  release "2012.11.26"
                },
                value fval { 1057, 10, -1 }
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            }
          }
        },
        data {
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            urn {
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            },
            value fval { 6, 10, -1 }
          },
          {
            urn {
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              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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          "15 0.5",
          "16 0.5",
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      },
      {
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          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 4, 10, 0 }
      },
      {
        urn {
          label "Features",
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          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 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "3 1 3 9 anion",
          "3 4 5 10 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 2
    }
  }
}