PC-Compounds ::= {
  {
    id {
      id cid 61828
    },
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        c,
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      },
      order {
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        single,
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      }
    },
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          14,
          15,
          16,
          17
        },
        conformers {
          {
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              { 2998, 10, -3 },
              { 9823, 10, -4 },
              { 8778, 10, -4 },
              { -8187, 10, -4 },
              { 12957, 10, -4 },
              { -9288, 10, -4 },
              { 5605, 10, -4 },
              { -15906, 10, -4 },
              { -1589, 10, -3 },
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              { -26429, 10, -4 },
              { -10887, 10, -4 },
              { -15491, 10, -4 },
              { -15474, 10, -4 },
              { -10859, 10, -4 },
              { -26411, 10, -4 }
            },
            y {
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              { 22234, 10, -4 },
              { -23808, 10, -4 },
              { -7532, 10, -4 },
              { -861, 10, -4 },
              { 6964, 10, -4 },
              { 1074, 10, -3 },
              { 1236, 10, -3 },
              { 12353, 10, -4 },
              { -12148, 10, -4 },
              { 9388, 10, -4 },
              { 8638, 10, -4 },
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            },
            z {
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              { 3, 10, -4 },
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              { -12671, 10, -4 },
              { 3, 10, -4 },
              { 13262, 10, -4 },
              { 21663, 10, -4 },
              { 12978, 10, -4 },
              { -12999, 10, -4 },
              { -21671, 10, -4 },
              { -13291, 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 "0000F18400000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 21886, 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 { 20297, 10, -3 }
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              {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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              {
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                  software "OEShape",
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                  release "2012.01.18"
                },
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              },
              {
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                  software "PubChem",
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                },
                value fval { 411072, 10, -3 }
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              {
                urn {
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        data {
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    props {
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          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      {
        urn {
          label "Features",
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
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        },
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        }
      }
    },
    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
    }
  }
}