PC-Compounds ::= {
  {
    id {
      id cid 2770166
    },
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      }
    },
    bonds {
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      },
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        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
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      }
    },
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        },
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        },
        conformers {
          {
            x {
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              { -576, 10, -3 },
              { 4854, 10, -4 },
              { 18621, 10, -4 },
              { -17385, 10, -4 },
              { -30349, 10, -4 },
              { -18072, 10, -4 },
              { 17425, 10, -4 },
              { -28564, 10, -4 },
              { -37444, 10, -4 },
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              { -16157, 10, -4 },
              { -11115, 10, -4 },
              { -2814, 10, -3 },
              { 34, 10, -2 },
              { 27592, 10, -4 },
              { 10574, 10, -4 }
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            y {
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              { 4856, 10, -4 },
              { -3532, 10, -4 },
              { 14306, 10, -4 },
              { -147, 10, -4 },
              { 7567, 10, -4 },
              { -14902, 10, -4 },
              { 1027, 10, -4 },
              { 18036, 10, -4 },
              { 325, 10, -3 },
              { 6998, 10, -4 },
              { -20774, 10, -4 },
              { -17629, 10, -4 },
              { -17436, 10, -4 },
              { -13344, 10, -4 },
              { 18391, 10, -4 },
              { 20483, 10, -4 }
            },
            z {
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              { -3104, 10, -4 },
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              { -361, 10, -4 },
              { -2904, 10, -4 },
              { -5, 10, -4 },
              { 2223, 10, -4 },
              { 6746, 10, -4 },
              { -10459, 10, -4 },
              { 6124, 10, -4 },
              { -10891, 10, -4 },
              { -6383, 10, -4 },
              { 5158, 10, -4 },
              { -5501, 10, -4 },
              { -3114, 10, -4 }
            },
            data {
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                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 "002A44F600000002"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 230419, 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 { 2034, 10, -2 }
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              {
                urn {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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              {
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                  software "OEShape",
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                },
                value fvec {
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                  { -19, 10, -2 }
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              {
                urn {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 273074, 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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                value fval { 1016, 10, -1 }
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            }
          }
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        data {
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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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      },
      {
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          release "2012.01.18"
        },
        value fval { 2, 10, 0 }
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      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 2 acceptor",
          "1 3 donor",
          "1 4 donor"
        }
      }
    },
    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 3
    }
  }
}