PC-Compounds ::= {
  {
    id {
      id cid 57309516
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        16,
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        20,
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        47,
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        51,
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      element {
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        s,
        s,
        o,
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        o,
        o,
        o,
        n,
        n,
        n,
        n,
        n,
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        c,
        c,
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        c,
        c,
        c,
        c,
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        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        3,
        4,
        5,
        5,
        6,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        17,
        17,
        19,
        19,
        20,
        20,
        21,
        21,
        22,
        22,
        24,
        25,
        27,
        27,
        27,
        28,
        28,
        28,
        29,
        29,
        30,
        31,
        33,
        33,
        33
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        21,
        22,
        26,
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        32,
        18,
        23,
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        23,
        24,
        13,
        33,
        16,
        18,
        19,
        17,
        24,
        38,
        26,
        27,
        46,
        26,
        29,
        25,
        30,
        32,
        32,
        53,
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        17,
        34,
        18,
        35,
        20,
        23,
        21,
        22,
        36,
        37,
        39,
        40,
        25,
        30,
        28,
        42,
        43,
        29,
        44,
        45,
        47,
        48,
        31,
        49,
        50,
        51,
        52
      },
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        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        double,
        single,
        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,
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        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 16,
        above 1,
        top 17,
        bottom 9,
        below 34,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 17,
        above 10,
        top 16,
        bottom 18,
        below 35,
        parity clockwise,
        type tetrahedral
      },
      planar {
        left 13,
        ltop -1,
        lbottom 8,
        right 25,
        rtop 24,
        rbottom 30,
        parity any,
        type planar
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          44,
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          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53,
          54
        },
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            data {
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                },
                value fval { 1295676, 10, -3 }
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              {
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                  source "openeye.com",
                  release "2012.11.26"
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        data {
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          {
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    props {
      {
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          label "Charge",
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          software "OEChem",
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          release "2012.11.26"
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      },
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      {
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          "3 11 12 26 cation",
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          "6 1 9 16 19 20 21 rings",
          "6 11 12 26 27 28 29 rings"
        }
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    },
    count {
      heavy-atom 33,
      atom-chiral 2,
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      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 0,
      bond-chiral-undef 1,
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      covalent-unit 1,
      tautomers 14
    }
  }
}