PC-Compounds ::= {
  {
    id {
      id cid 11855
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12
      },
      element {
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        cl,
        cl,
        cl,
        cl,
        c,
        c,
        c,
        c,
        c,
        c,
        h
      }
    },
    bonds {
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        2,
        3,
        4,
        5,
        6,
        6,
        7,
        8,
        9,
        10,
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      },
      aid2 {
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      },
      order {
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        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        double,
        single
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12
        },
        conformers {
          {
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              { -27241, 10, -4 },
              { -26646, 10, -4 },
              { 26643, 10, -4 },
              { 1, 10, -4 },
              { 12081, 10, -4 },
              { -12079, 10, -4 },
              { -1208, 10, -3 },
              { 1208, 10, -3 },
              { -1, 10, -4 },
              { -1, 10, -4 }
            },
            y {
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              { 12826, 10, -4 },
              { 12828, 10, -4 },
              { -19039, 10, -4 },
              { -19042, 10, -4 },
              { 11242, 10, -4 },
              { 4267, 10, -4 },
              { 4267, 10, -4 },
              { -9682, 10, -4 },
              { -9682, 10, -4 },
              { -16655, 10, -4 },
              { -27539, 10, -4 }
            },
            z {
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              { 8, 10, -4 },
              { -6, 10, -4 },
              { 8, 10, -4 },
              { -1, 10, -3 },
              { 2, 10, -4 },
              { 3, 10, -4 },
              { -1, 10, -4 },
              { -2, 10, -4 },
              { 2, 10, -4 },
              { 0, 10, 0 },
              { -2, 10, -4 }
            },
            data {
              {
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                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00002E4F00000001"
              },
              {
                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 { 252053, 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 { 5074, 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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                  "68250623 7 18410578383198313031"
                }
              },
              {
                urn {
                  label "Shape",
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                  version "1.8.1",
                  software "OEShape",
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                  release "2012.01.18"
                },
                value fvec {
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              },
              {
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                  software "PubChem",
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                },
                value fval { 448402, 10, -3 }
              },
              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 1443, 10, -1 }
              }
            }
          }
        },
        data {
          {
            urn {
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              release "2009.12.11"
            },
            value fval { 4, 10, -1 }
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          {
            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",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
        value fval { 0, 10, 0 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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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
    }
  }
}