PC-Compounds ::= {
  {
    id {
      id cid 53382839
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        15,
        16,
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        19,
        20,
        21,
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        27,
        28,
        29,
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        31,
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        35,
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        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        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,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 5,
          value -1
        },
        {
          aid 9,
          value 1
        }
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        4,
        4,
        5,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        10,
        11,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        21,
        22,
        23,
        23,
        24,
        24,
        26,
        27,
        27,
        28,
        28,
        30,
        30,
        30,
        31,
        31,
        31,
        32,
        32,
        32
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      aid2 {
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        30,
        21,
        31,
        20,
        29,
        32,
        9,
        9,
        15,
        16,
        17,
        15,
        38,
        39,
        22,
        25,
        12,
        13,
        14,
        33,
        16,
        20,
        15,
        25,
        18,
        19,
        34,
        21,
        23,
        22,
        35,
        24,
        36,
        27,
        26,
        28,
        37,
        26,
        40,
        41,
        29,
        42,
        29,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52
      },
      order {
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        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        triple,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        double,
        single,
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        single,
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        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 12,
        top 13,
        bottom 14,
        below 33,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          6,
          7,
          8,
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          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52
        },
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            },
            data {
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        data {
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          {
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              datatype uintvec,
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    props {
      {
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          "1 7 cation",
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          "6 14 18 19 22 24 26 rings",
          "6 17 21 23 27 28 29 rings",
          "6 7 11 12 13 15 16 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
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      covalent-unit 1,
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    }
  }
}