PC-Compounds ::= {
  {
    id {
      id cid 1646
    },
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        2,
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      }
    },
    bonds {
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      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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      }
    },
    coords {
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        },
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          15,
          16,
          17
        },
        conformers {
          {
            x {
              { 15211, 10, -4 },
              { 25113, 10, -4 },
              { 15905, 10, -4 },
              { 17334, 10, -4 },
              { -36415, 10, -4 },
              { -11961, 10, -4 },
              { -53, 10, -4 },
              { -25134, 10, -4 },
              { -1153, 10, -3 },
              { -11432, 10, -4 },
              { -185, 10, -4 },
              { -166, 10, -4 },
              { -25741, 10, -4 },
              { -25759, 10, -4 },
              { -45111, 10, -4 },
              { -36097, 10, -4 },
              { 24985, 10, -4 }
            },
            y {
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              { -11245, 10, -4 },
              { 10086, 10, -4 },
              { 6755, 10, -4 },
              { 366, 10, -3 },
              { 2137, 10, -4 },
              { -7334, 10, -4 },
              { -5579, 10, -4 },
              { 8784, 10, -4 },
              { 8576, 10, -4 },
              { -1399, 10, -3 },
              { -13392, 10, -4 },
              { -12094, 10, -4 },
              { -1192, 10, -3 },
              { -1629, 10, -4 },
              { 9423, 10, -4 },
              { -1517, 10, -3 }
            },
            z {
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              { 2091, 10, -4 },
              { 11536, 10, -4 },
              { -13537, 10, -4 },
              { -35, 10, -4 },
              { -26, 10, -4 },
              { 119, 10, -4 },
              { 17, 10, -4 },
              { 8694, 10, -4 },
              { -8899, 10, -4 },
              { -8569, 10, -4 },
              { 924, 10, -3 },
              { -877, 10, -3 },
              { 8925, 10, -4 },
              { -528, 10, -4 },
              { -8436, 10, -4 },
              { 11136, 10, -4 }
            },
            data {
              {
                urn {
                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0000066E00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { -1366, 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 { 305, 10, -1 }
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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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                  "14390081 3 18273493490225072849",
                  "21040471 1 18336828718116743250",
                  "23552449 11 17632573864015647962",
                  "3248919 1 17895187857229551795",
                  "5084963 1 18260266321934240611",
                  "5460574 1 9295291642573853451"
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              },
              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
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                  { -55, 10, -2 },
                  { -25, 10, -2 },
                  { -3, 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 { 253595, 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 { 967, 10, -1 }
              }
            }
          }
        },
        data {
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            urn {
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          {
            urn {
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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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          "16 0.36",
          "17 0.5",
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          "5 -0.99",
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          "8 0.27"
        }
      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
        value fval { 3, 10, 0 }
      },
      {
        urn {
          label "Features",
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          datatype stringlist,
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          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 4 acceptor",
          "1 5 cation",
          "1 5 donor",
          "4 1 2 3 4 anion"
        }
      }
    },
    count {
      heavy-atom 8,
      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
    }
  }
}