PC-Compounds ::= {
  {
    id {
      id cid 54407030
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        15,
        16,
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        20,
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        40,
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        42,
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        44,
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        46,
        47,
        48,
        49
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        o,
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        n,
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        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,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        8,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        18,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        21,
        22,
        22,
        23,
        23,
        24
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      aid2 {
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        6,
        8,
        9,
        9,
        10,
        11,
        6,
        34,
        35,
        7,
        25,
        10,
        13,
        12,
        26,
        27,
        14,
        28,
        29,
        16,
        30,
        31,
        15,
        17,
        18,
        32,
        33,
        19,
        20,
        36,
        37,
        38,
        23,
        39,
        40,
        41,
        42,
        21,
        43,
        22,
        44,
        24,
        45,
        24,
        46,
        47,
        48,
        49
      },
      order {
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 3,
        top 5,
        bottom 7,
        below 25,
        parity any,
        type tetrahedral
      },
      planar {
        left 7,
        ltop 6,
        lbottom 10,
        right 13,
        rtop 15,
        rbottom 17,
        parity any,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
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          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49
        },
        conformers {
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            z {
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              { 9091, 10, -4 }
            },
            data {
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                  release "2011.09.13"
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                urn {
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              {
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                },
                value fval { 977137, 10, -3 }
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              {
                urn {
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        data {
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          {
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    },
    props {
      {
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          label "Charge",
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          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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          "6 3 4 6 7 9 10 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 1,
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      bond-chiral-undef 1,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}