PC-Compounds ::= {
  {
    id {
      id cid 123908
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22
      },
      element {
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        o,
        o,
        o,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
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        1,
        2,
        2,
        3,
        3,
        4,
        5,
        5,
        6,
        6,
        7,
        8,
        9,
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        9,
        10,
        10,
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        18,
        10,
        19,
        12,
        20,
        12,
        13,
        21,
        14,
        22,
        13,
        14,
        10,
        11,
        12,
        13,
        15,
        14,
        16,
        17
      },
      order {
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        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 1,
        top 10,
        bottom 11,
        below 12,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 2,
        top 9,
        bottom 13,
        below 15,
        parity any,
        type tetrahedral
      }
    },
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        type {
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          computed,
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          14,
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          18,
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          22
        },
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              { 11886, 10, -4 },
              { -23347, 10, -4 },
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              { -28823, 10, -4 },
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              { 95, 10, -4 },
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              { -17225, 10, -4 },
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              { -23802, 10, -4 }
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                },
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                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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                },
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        data {
          {
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          {
            urn {
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      {
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          software "OEChem",
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        },
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      {
        urn {
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
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          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "3 3 4 12 anion",
          "3 5 7 13 anion",
          "3 6 8 14 anion"
        }
      }
    },
    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 1
    }
  }
}