PC-Compounds ::= {
  {
    id {
      id cid 2537
    },
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        5,
        6,
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        9,
        10,
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        12,
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        20,
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      },
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        c,
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      }
    },
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        2,
        2,
        3,
        3,
        3,
        4,
        4,
        4,
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        5,
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        10,
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        6,
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        16,
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        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27
      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
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        above 2,
        top 5,
        bottom 8,
        below 11,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 4,
        above 2,
        top 6,
        bottom 7,
        below 12,
        parity any,
        type tetrahedral
      }
    },
    coords {
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        type {
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        aid {
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        },
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              { 11747, 10, -4 },
              { 4428, 10, -4 },
              { -12923, 10, -4 },
              { -6326, 10, -4 }
            },
            y {
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              { 2171, 10, -3 },
              { 22768, 10, -4 },
              { 19524, 10, -4 },
              { 2625, 10, -3 }
            },
            z {
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              { -2839, 10, -4 }
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            data {
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
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              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
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              {
                urn {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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                },
                value fval { 15223, 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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              },
              {
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                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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                }
              },
              {
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 469959, 10, -3 }
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              {
                urn {
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        data {
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          {
            urn {
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            },
            value ivec {
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            }
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        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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      },
      {
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      {
        urn {
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          release "2012.11.26"
        },
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        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 0,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}