PC-Compounds ::= {
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    },
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        3,
        4,
        5,
        6,
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      }
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        single,
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        single,
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      }
    },
    coords {
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        },
        aid {
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          6,
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          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15
        },
        conformers {
          {
            x {
              { 30437, 10, -4 },
              { 5178, 10, -4 },
              { -1584, 10, -4 },
              { -1583, 10, -4 },
              { 19639, 10, -4 },
              { -15109, 10, -4 },
              { -15107, 10, -4 },
              { -2187, 10, -3 },
              { 3569, 10, -4 },
              { 3571, 10, -4 },
              { 22448, 10, -4 },
              { 22448, 10, -4 },
              { -20375, 10, -4 },
              { -20371, 10, -4 },
              { -324, 10, -2 }
            },
            y {
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              { 1, 10, -4 },
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              { -12079, 10, -4 },
              { 1, 10, -4 },
              { 12079, 10, -4 },
              { -1208, 10, -3 },
              { -1, 10, -4 },
              { 21561, 10, -4 },
              { -2156, 10, -3 },
              { 8874, 10, -4 },
              { -887, 10, -3 },
              { 21484, 10, -4 },
              { -21486, 10, -4 },
              { -3, 10, -4 }
            },
            z {
              { 8858, 10, -4 },
              { -3672, 10, -4 },
              { -1963, 10, -4 },
              { -1965, 10, -4 },
              { -7323, 10, -4 },
              { 1453, 10, -4 },
              { 1452, 10, -4 },
              { 316, 10, -3 },
              { -3258, 10, -4 },
              { -3259, 10, -4 },
              { -13077, 10, -4 },
              { -13079, 10, -4 },
              { 2786, 10, -4 },
              { 2784, 10, -4 },
              { 5822, 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"
                },
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              },
              {
                urn {
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                  name "MMFF94 NoEstat",
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                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 166581, 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 { 10148, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
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                  software "PubChem",
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                  "23552423 10 17754464769530315364",
                  "2748010 2 18049455742339258229",
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                  "369184 2 18412534414626427450",
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              },
              {
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                  software "OEShape",
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                  release "2012.01.18"
                },
                value fvec {
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              },
              {
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                },
                value fval { 333291, 10, -3 }
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              {
                urn {
                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 1039, 10, -1 }
              }
            }
          }
        },
        data {
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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          "5 0.37",
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      },
      {
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        },
        value fval { 1, 10, 0 }
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      {
        urn {
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          parameters "ImplicitMillsDean merged",
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          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "6 2 3 4 6 7 8 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
    }
  }
}