PC-Compounds ::= {
  {
    id {
      id cid 439183
    },
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        4,
        5,
        6,
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        9,
        10,
        11,
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        13,
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      },
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        o,
        o,
        o,
        o,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        1,
        2,
        3,
        3,
        4,
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        6,
        6,
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      },
      order {
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        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
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        above 3,
        top 11,
        bottom 9,
        below 14,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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        },
        conformers {
          {
            x {
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              { -5943, 10, -4 },
              { 16823, 10, -4 },
              { -22628, 10, -4 },
              { -27497, 10, -4 },
              { 22445, 10, -4 },
              { -28484, 10, -4 },
              { 27503, 10, -4 },
              { 1121, 10, -4 },
              { 15778, 10, -4 },
              { 22637, 10, -4 },
              { -3306, 10, -4 },
              { 128, 10, -4 },
              { 21285, 10, -4 },
              { 11263, 10, -4 },
              { -31339, 10, -4 },
              { -37196, 10, -4 },
              { 26726, 10, -4 }
            },
            y {
              { -1438, 10, -4 },
              { 1773, 10, -4 },
              { 18632, 10, -4 },
              { -13519, 10, -4 },
              { 11247, 10, -4 },
              { -15571, 10, -4 },
              { -4035, 10, -4 },
              { -41, 10, -2 },
              { 4341, 10, -4 },
              { 7116, 10, -4 },
              { -4446, 10, -4 },
              { 13126, 10, -4 },
              { -426, 10, -3 },
              { 9254, 10, -4 },
              { 17188, 10, -4 },
              { -17661, 10, -4 },
              { 12173, 10, -4 },
              { -23204, 10, -4 }
            },
            z {
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              { 3092, 10, -4 },
              { 2321, 10, -4 },
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              { -6034, 10, -4 },
              { -6738, 10, -4 },
              { 15348, 10, -4 },
              { 12242, 10, -4 },
              { -8996, 10, -4 },
              { -5924, 10, -4 },
              { 103, 10, -3 },
              { -13801, 10, -4 },
              { -15688, 10, -4 },
              { -15143, 10, -4 },
              { 1017, 10, -3 },
              { -10309, 10, -4 },
              { -7165, 10, -4 },
              { -2307, 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 "0006B38F00000001"
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              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  source "openeye.com",
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              {
                urn {
                  label "Feature",
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 45774, 10, -3 }
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              {
                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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                  "23552423 10 17022914479108645861",
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              },
              {
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                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              },
              {
                urn {
                  label "Shape",
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 348292, 10, -3 }
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              {
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        data {
          {
            urn {
              label "Conformer",
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            },
            value fval { 6, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
            },
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    },
    props {
      {
        urn {
          label "Charge",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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          "10 0.34",
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          "15 0.4",
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          "17 0.5",
          "18 0.5",
          "2 -0.55",
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      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 4, 10, 0 }
      },
      {
        urn {
          label "Features",
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          datatype stringlist,
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          release "2012.11.26"
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          "1 4 acceptor",
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          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "3 6 8 11 anion",
          "4 1 4 5 7 anion"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}