PC-Compounds ::= {
  {
    id {
      id cid 19
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
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        10,
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      },
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        c,
        c,
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        c,
        h,
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      }
    },
    bonds {
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        2,
        3,
        3,
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        5,
        5,
        6,
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      },
      order {
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        single,
        single,
        double,
        double,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single
      }
    },
    coords {
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        type {
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        },
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          6,
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          13,
          14,
          15,
          16,
          17
        },
        conformers {
          {
            x {
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              { -27293, 10, -4 },
              { 27954, 10, -4 },
              { 24651, 10, -4 },
              { 5981, 10, -4 },
              { -4008, 10, -4 },
              { -17433, 10, -4 },
              { 2548, 10, -4 },
              { -20866, 10, -4 },
              { -10876, 10, -4 },
              { 20061, 10, -4 },
              { 10093, 10, -4 },
              { -31304, 10, -4 },
              { -13553, 10, -4 },
              { 8899, 10, -4 },
              { -23133, 10, -4 },
              { 37415, 10, -4 }
            },
            y {
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              { -12765, 10, -4 },
              { 8387, 10, -4 },
              { -11808, 10, -4 },
              { 2512, 10, -4 },
              { -7189, 10, -4 },
              { -34, 10, -2 },
              { 16002, 10, -4 },
              { 10091, 10, -4 },
              { 19791, 10, -4 },
              { -1222, 10, -4 },
              { 23785, 10, -4 },
              { 13111, 10, -4 },
              { 30292, 10, -4 },
              { -21535, 10, -4 },
              { -21544, 10, -4 },
              { 5791, 10, -4 }
            },
            z {
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              { -1182, 10, -4 },
              { -5184, 10, -4 },
              { 4712, 10, -4 },
              { 376, 10, -4 },
              { -449, 10, -4 },
              { -382, 10, -4 },
              { 1267, 10, -4 },
              { 508, 10, -4 },
              { 1333, 10, -4 },
              { 335, 10, -4 },
              { 2054, 10, -4 },
              { 573, 10, -4 },
              { 2057, 10, -4 },
              { -1871, 10, -4 },
              { -1733, 10, -4 },
              { -5173, 10, -4 }
            },
            data {
              {
                urn {
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                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0000001300000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 310881, 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 { 30508, 10, -3 }
              },
              {
                urn {
                  label "Fingerprint",
                  name "Shape",
                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
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                  "5084963 1 18202282463857525698",
                  "66348 1 18267022941035232137"
                }
              },
              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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                  { 7, 10, -2 },
                  { 3, 10, -2 },
                  { -26, 10, -2 }
                }
              },
              {
                urn {
                  label "Shape",
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 432506, 10, -3 }
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              {
                urn {
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                  software "OEShape",
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                  release "2012.01.18"
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            }
          }
        },
        data {
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            urn {
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            },
            value fval { 4, 10, -1 }
          },
          {
            urn {
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              name "ID List",
              datatype uintvec,
              release "2010.05.05"
            },
            value ivec {
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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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          "10 -0.15",
          "11 0.63",
          "12 0.15",
          "13 0.15",
          "14 0.15",
          "15 0.45",
          "16 0.45",
          "17 0.5",
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          "4 -0.57",
          "5 0.09",
          "6 0.08",
          "7 0.08",
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        }
      },
      {
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          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
        value fval { 1, 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"
        },
        value slist {
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          "1 2 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "3 3 4 11 anion",
          "6 5 6 7 8 9 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 13
    }
  }
}