PC-Compounds ::= {
  {
    id {
      id cid 61361
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
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        22,
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      },
      element {
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        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        h,
        h,
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        h,
        h,
        h,
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        h,
        h,
        h,
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      }
    },
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        1,
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        3,
        3,
        4,
        4,
        4,
        5,
        5,
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        6,
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        8,
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        12,
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        13,
        22,
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        24,
        25,
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        14,
        27,
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      },
      order {
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        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
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        single,
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        single,
        single,
        single,
        single,
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        single,
        single,
        double,
        single,
        single
      }
    },
    stereo {
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        above 1,
        top 4,
        bottom 5,
        below 15,
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        type tetrahedral
      }
    },
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        },
        conformers {
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              { -30113, 10, -4 },
              { -10837, 10, -4 }
            },
            z {
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              { 7886, 10, -4 },
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              { 7125, 10, -4 }
            },
            data {
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              {
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                  source "openeye.com",
                  release "2012.01.18"
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              {
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                },
                value fval { 20387, 10, -3 }
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              {
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              },
              {
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                  software "OEShape",
                  source "openeye.com",
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                },
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              {
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        data {
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    props {
      {
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          source "openeye.com",
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      },
      {
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      {
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      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}