PC-Compounds ::= {
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      id cid 1015
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      }
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        single,
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        single,
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        single,
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      }
    },
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        },
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          11,
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          13,
          14,
          15,
          16
        },
        conformers {
          {
            x {
              { 1492, 10, -3 },
              { -27, 10, -4 },
              { 14851, 10, -4 },
              { 14746, 10, -4 },
              { 25979, 10, -4 },
              { -35503, 10, -4 },
              { -11037, 10, -4 },
              { -23928, 10, -4 },
              { -10526, 10, -4 },
              { -1051, 10, -3 },
              { -24272, 10, -4 },
              { -24189, 10, -4 },
              { -35358, 10, -4 },
              { -44012, 10, -4 },
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              { 23093, 10, -4 }
            },
            y {
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              { 6779, 10, -4 },
              { -998, 10, -3 },
              { -8834, 10, -4 },
              { 10755, 10, -4 },
              { -2974, 10, -4 },
              { -2209, 10, -4 },
              { 5847, 10, -4 },
              { -8845, 10, -4 },
              { -8282, 10, -4 },
              { 12564, 10, -4 },
              { 12236, 10, -4 },
              { -898, 10, -3 },
              { 2592, 10, -4 },
              { -14609, 10, -4 },
              { -13101, 10, -4 }
            },
            z {
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              { -231, 10, -4 },
              { -12284, 10, -4 },
              { 13054, 10, -4 },
              { -43, 10, -3 },
              { 6, 10, -4 },
              { 93, 10, -4 },
              { -14, 10, -3 },
              { -8605, 10, -4 },
              { 919, 10, -3 },
              { 8511, 10, -4 },
              { -9042, 10, -4 },
              { -8228, 10, -4 },
              { -67, 10, -3 },
              { -14597, 10, -4 },
              { 15939, 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 "000003F700000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { -291297, 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 { 30482, 10, -3 }
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              {
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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                  "3248919 1 18131063797560862313",
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              },
              {
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                  software "OEShape",
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              },
              {
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                  software "PubChem",
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                },
                value fval { 239692, 10, -3 }
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              {
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                  release "2012.01.18"
                },
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            }
          }
        },
        data {
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            urn {
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    },
    props {
      {
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "14 0.36",
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          "16 0.5",
          "2 -0.55",
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      },
      {
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        },
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      {
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "1 5 acceptor",
          "1 6 cation",
          "1 6 donor",
          "4 1 3 4 5 anion"
        }
      }
    },
    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
    }
  }
}