PC-Compounds ::= {
  {
    id {
      id cid 646513
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
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        36,
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        38,
        39,
        40,
        41,
        42,
        43
      },
      element {
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        o,
        o,
        o,
        o,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
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        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        3,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
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        12,
        12,
        13,
        13,
        13,
        14,
        15,
        15,
        16,
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        18,
        18,
        21,
        21,
        22,
        22,
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        24,
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        25,
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      aid2 {
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        10,
        14,
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        12,
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        17,
        20,
        37,
        19,
        20,
        11,
        13,
        26,
        15,
        16,
        17,
        19,
        27,
        29,
        30,
        31,
        18,
        21,
        32,
        22,
        33,
        34,
        35,
        23,
        38,
        23,
        39,
        40,
        25,
        41,
        42,
        43
      },
      order {
        single,
        single,
        double,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 10,
        above 6,
        top 11,
        bottom 13,
        below 26,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 7,
        top 17,
        bottom 19,
        below 27,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
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          39,
          40,
          41,
          42,
          43
        },
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          release "2012.11.26"
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          "1 7 donor",
          "1 8 donor",
          "1 9 donor",
          "6 11 15 16 21 22 23 rings",
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        }
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    },
    count {
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      atom-chiral 2,
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      bond-chiral 0,
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      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
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    }
  }
}