PC-Compounds ::= {
  {
    id {
      id cid 44828494
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43
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        p,
        p,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
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        n,
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        c,
        c,
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        c,
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        c,
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        h,
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        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 9,
          value -1
        },
        {
          aid 11,
          value -1
        },
        {
          aid 12,
          value -1
        }
      }
    },
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        1,
        2,
        2,
        2,
        2,
        3,
        3,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        14,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        18,
        19,
        19,
        19,
        20,
        20,
        21,
        22,
        22,
        23,
        23,
        24,
        25,
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        29,
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        29
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        7,
        8,
        9,
        10,
        8,
        11,
        12,
        13,
        21,
        22,
        19,
        36,
        20,
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        23,
        21,
        24,
        25,
        25,
        26,
        24,
        28,
        27,
        28,
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        20,
        21,
        30,
        22,
        31,
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        23,
        33,
        34,
        35,
        26,
        38,
        27,
        41,
        42,
        43
      },
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        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 19,
        above 5,
        top 21,
        bottom 20,
        below 30,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 20,
        above 6,
        top 19,
        bottom 22,
        below 31,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 21,
        above 4,
        top 14,
        bottom 19,
        below 32,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 22,
        above 4,
        top 20,
        bottom 23,
        below 33,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          35,
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          37,
          38,
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          40,
          41,
          42,
          43
        },
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          "1 12 acceptor",
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          "1 18 cation",
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          "1 29 hydrophobe",
          "1 4 acceptor",
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          "1 5 donor",
          "1 6 acceptor",
          "1 6 donor",
          "1 9 acceptor",
          "3 14 15 25 cation",
          "3 14 16 24 cation",
          "3 16 17 28 cation",
          "4 3 11 12 13 anion",
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          "5 4 19 20 21 22 rings",
          "6 16 17 24 26 27 28 rings"
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      }
    },
    count {
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      atom-chiral 4,
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    }
  }
}