PC-Compounds ::= {
  {
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      id cid 13
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
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      },
      element {
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        cl,
        cl,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h
      }
    },
    bonds {
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        4,
        5,
        6,
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      order {
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        single,
        double,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
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      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
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          11,
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        },
        conformers {
          {
            x {
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              { 28046, 10, -4 },
              { -32698, 10, -4 },
              { 7152, 10, -4 },
              { 11329, 10, -4 },
              { -6461, 10, -4 },
              { -15898, 10, -4 },
              { 1892, 10, -4 },
              { -11721, 10, -4 },
              { -9751, 10, -4 },
              { 497, 10, -3 },
              { -18964, 10, -4 }
            },
            y {
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              { 9973, 10, -4 },
              { -4244, 10, -4 },
              { -7742, 10, -4 },
              { 5566, 10, -4 },
              { -10779, 10, -4 },
              { -507, 10, -4 },
              { 15839, 10, -4 },
              { 12801, 10, -4 },
              { -2115, 10, -3 },
              { 26265, 10, -4 },
              { 20908, 10, -4 }
            },
            z {
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              { -3, 10, -4 },
              { 5, 10, -4 },
              { -1, 10, -4 },
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              { -3, 10, -4 },
              { -2, 10, -4 },
              { 8, 10, -4 },
              { -6, 10, -4 },
              { -6, 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 "0000000D00000001"
              },
              {
                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 { 17178, 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 { 5074, 10, -3 }
              },
              {
                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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              },
              {
                urn {
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                  software "OEShape",
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                  release "2012.01.18"
                },
                value fvec {
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              {
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                },
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              {
                urn {
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                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 1151, 10, -1 }
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        data {
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            value fval { 4, 10, -1 }
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          {
            urn {
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              release "2010.05.05"
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            value ivec {
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    },
    props {
      {
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          label "Charge",
          name "MMFF94 Partial",
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          release "2012.11.26"
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      },
      {
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        value fval { 0, 10, 0 }
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      {
        urn {
          label "Features",
          name "Pharmacophore",
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          parameters "ImplicitMillsDean merged",
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          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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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
    }
  }
}