PC-Compounds ::= {
  {
    id {
      id cid 157857
    },
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      }
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      order {
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        single,
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      }
    },
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        },
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        },
        conformers {
          {
            x {
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              { 1492, 10, -3 },
              { -25414, 10, -4 },
              { -3835, 10, -3 },
              { -21845, 10, -4 },
              { 38344, 10, -4 },
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              { -1459, 10, -3 },
              { -18646, 10, -4 },
              { 18646, 10, -4 },
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              { -25513, 10, -4 },
              { 25514, 10, -4 },
              { 0, 10, 0 }
            },
            y {
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              { -7823, 10, -4 },
              { 12459, 10, -4 },
              { 2832, 10, -4 },
              { 15458, 10, -4 },
              { 2839, 10, -4 },
              { 12437, 10, -4 },
              { 15474, 10, -4 },
              { -12834, 10, -4 },
              { -16348, 10, -4 },
              { -1635, 10, -3 },
              { -12834, 10, -4 },
              { -52, 10, -4 },
              { 6281, 10, -4 },
              { 6282, 10, -4 },
              { 4984, 10, -4 }
            },
            z {
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              { 44, 10, -4 },
              { -12225, 10, -4 },
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              { 2502, 10, -4 },
              { -12235, 10, -4 },
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              { 1364, 10, -3 },
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              { -3594, 10, -4 },
              { -165, 10, -4 },
              { -166, 10, -4 },
              { -12569, 10, -4 }
            },
            data {
              {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "000268A100000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  version "1.7.2",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fval { -18007, 10, -4 }
              },
              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 25409, 10, -3 }
              },
              {
                urn {
                  label "Fingerprint",
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                  "3248919 1 18130777911352181807",
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              },
              {
                urn {
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                  release "2012.11.26"
                },
                value fvec {
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                  { 0, 10, 0 }
                }
              },
              {
                urn {
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                value fval { 463001, 10, -3 }
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              {
                urn {
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        data {
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          {
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            },
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            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 4, 10, 0 }
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      {
        urn {
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "1 12 acceptor",
          "1 13 donor",
          "1 9 acceptor"
        }
      }
    },
    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
    }
  }
}