PC-Compounds ::= {
  {
    id {
      id cid 53301230
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
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        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
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        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54,
        55,
        56
      },
      element {
        f,
        f,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
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        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,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        12,
        12,
        14,
        14,
        16,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        21,
        22,
        23,
        23,
        24,
        26,
        26,
        26,
        27,
        27,
        27,
        28,
        28,
        29,
        29,
        30,
        30,
        30,
        31,
        31,
        32,
        32,
        33
      },
      aid2 {
        24,
        25,
        13,
        27,
        13,
        15,
        8,
        15,
        16,
        8,
        9,
        12,
        13,
        10,
        34,
        11,
        35,
        36,
        11,
        17,
        18,
        14,
        19,
        15,
        21,
        23,
        37,
        38,
        22,
        39,
        20,
        40,
        24,
        41,
        22,
        26,
        25,
        42,
        43,
        28,
        29,
        25,
        44,
        45,
        46,
        30,
        47,
        48,
        31,
        49,
        32,
        50,
        51,
        52,
        53,
        33,
        54,
        33,
        55,
        56
      },
      order {
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
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        single,
        single,
        single,
        double,
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        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        double,
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        double,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 8,
        top 12,
        bottom 9,
        below 13,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 6,
        top 7,
        bottom 10,
        below 34,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
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          6,
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          8,
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          44,
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          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53,
          54,
          55,
          56
        },
        conformers {
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            y {
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            z {
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            data {
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                  release "2011.04.04"
                },
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              {
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                urn {
                  label "Feature",
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                  software "PubChem",
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                  release "2012.11.26"
                },
                value fval { 35828, 10, -3 }
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              {
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              {
                urn {
                  label "Shape",
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                  version "1.8.3",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              {
                urn {
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                  release "2012.11.26"
                },
                value fval { 143113, 10, -2 }
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                  release "2012.11.26"
                },
                value fval { 3449, 10, -1 }
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        data {
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            urn {
              label "Conformer",
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            },
            value fval { 8, 10, -1 }
          },
          {
            urn {
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              name "ID List",
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            },
            value ivec {
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    },
    props {
      {
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      },
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          label "Count",
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          release "2012.11.26"
        },
        value fval { 54, 10, -1 }
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      {
        urn {
          label "Features",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "6 23 28 29 31 32 33 rings",
          "6 6 7 8 12 14 15 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
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      covalent-unit 1,
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    }
  }
}