PC-Compounds ::= {
  {
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      id cid 70627
    },
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        2,
        3,
        4,
        5,
        6,
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        10,
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      },
      element {
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        h,
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      }
    },
    bonds {
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        2,
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      },
      order {
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        single,
        single,
        single,
        single,
        double,
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        single,
        single,
        single,
        double,
        single,
        single,
        single,
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      }
    },
    coords {
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        type {
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        },
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          6,
          7,
          8,
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          10,
          11,
          12,
          13,
          14,
          15,
          16
        },
        conformers {
          {
            x {
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              { -13801, 10, -4 },
              { 28097, 10, -4 },
              { 13542, 10, -4 },
              { -13677, 10, -4 },
              { -7499, 10, -4 },
              { 7365, 10, -4 },
              { 14361, 10, -4 },
              { -28534, 10, -4 },
              { 6934, 10, -4 },
              { -31824, 10, -4 },
              { -34268, 10, -4 },
              { -31193, 10, -4 },
              { 10956, 10, -4 },
              { -23387, 10, -4 },
              { 30891, 10, -4 }
            },
            y {
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              { -19795, 10, -4 },
              { 5429, 10, -4 },
              { -18585, 10, -4 },
              { 4382, 10, -4 },
              { -7561, 10, -4 },
              { -7996, 10, -4 },
              { 5058, 10, -4 },
              { 6481, 10, -4 },
              { 1615, 10, -3 },
              { 10504, 10, -4 },
              { -2588, 10, -4 },
              { 13713, 10, -4 },
              { 26185, 10, -4 },
              { -18509, 10, -4 },
              { 14748, 10, -4 }
            },
            z {
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              { 96, 10, -4 },
              { -18, 10, -4 },
              { -51, 10, -4 },
              { 34, 10, -4 },
              { -1, 10, -4 },
              { -28, 10, -4 },
              { -2, 10, -4 },
              { -116, 10, -4 },
              { 36, 10, -4 },
              { 952, 10, -3 },
              { -2146, 10, -4 },
              { -7904, 10, -4 },
              { 56, 10, -4 },
              { 763, 10, -4 },
              { 2, 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 "000113E300000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 170037, 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 { 25371, 10, -3 }
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              {
                urn {
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                  "23552423 10 18116995687790568420",
                  "241688 4 17833833763695092456",
                  "2748010 2 18122624126199054965",
                  "29004967 10 18261401017939633753",
                  "5084963 1 17842004573940350970"
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              },
              {
                urn {
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                  software "OEShape",
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                  release "2012.01.18"
                },
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              },
              {
                urn {
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                  version "2.1",
                  software "PubChem",
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                  release "2012.01.18"
                },
                value fval { 37826, 10, -2 }
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              {
                urn {
                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 1026, 10, -1 }
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          }
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        data {
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            urn {
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    props {
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          datatype stringlist,
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "14 0.15",
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          "16 0.45",
          "2 -0.53",
          "3 -0.53",
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      },
      {
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        value fval { 0, 10, 0 }
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      {
        urn {
          label "Features",
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "1 3 donor",
          "1 4 acceptor",
          "6 1 5 6 7 8 10 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 12
    }
  }
}