PC-Compounds ::= {
  {
    id {
      id cid 23279499
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        32,
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        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47
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        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
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        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 10,
          value -1
        },
        {
          aid 13,
          value -1
        },
        {
          aid 15,
          value -1
        },
        {
          aid 16,
          value -1
        }
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        2,
        2,
        3,
        3,
        3,
        3,
        4,
        4,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        18,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        25,
        26,
        26,
        27,
        27,
        28,
        29,
        30,
        33,
        33,
        33
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      aid2 {
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        33,
        8,
        9,
        10,
        11,
        9,
        12,
        13,
        14,
        12,
        15,
        16,
        17,
        25,
        26,
        23,
        40,
        24,
        41,
        27,
        25,
        28,
        29,
        29,
        30,
        28,
        32,
        31,
        32,
        31,
        43,
        44,
        24,
        25,
        34,
        26,
        35,
        36,
        27,
        37,
        38,
        39,
        30,
        42,
        31,
        45,
        46,
        47
      },
      order {
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 23,
        above 6,
        top 25,
        bottom 24,
        below 34,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 24,
        above 7,
        top 23,
        bottom 26,
        below 35,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 25,
        above 5,
        top 18,
        bottom 23,
        below 36,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 26,
        above 5,
        top 24,
        bottom 27,
        below 37,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47
        },
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            data {
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        data {
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      {
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          "1 22 cation",
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          "1 33 hydrophobe",
          "1 5 acceptor",
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          "1 7 acceptor",
          "1 7 donor",
          "3 18 19 29 cation",
          "3 18 20 28 cation",
          "3 20 21 32 cation",
          "4 4 15 16 17 anion",
          "5 18 19 28 29 30 rings",
          "5 5 23 24 25 26 rings",
          "6 20 21 28 30 31 32 rings"
        }
      }
    },
    count {
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      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}