PC-Compounds ::= {
  {
    id {
      id cid 439246
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32
      },
      element {
        o,
        o,
        o,
        o,
        o,
        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
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        11,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        18,
        18,
        19,
        19
      },
      aid2 {
        6,
        11,
        10,
        12,
        30,
        17,
        31,
        20,
        32,
        7,
        8,
        21,
        10,
        22,
        23,
        14,
        15,
        10,
        11,
        12,
        13,
        16,
        17,
        24,
        18,
        25,
        19,
        26,
        17,
        27,
        20,
        28,
        20,
        29
      },
      order {
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 1,
        top 7,
        bottom 8,
        below 21,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
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          20,
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          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32
        },
        conformers {
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            z {
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              { -11829, 10, -4 }
            },
            data {
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              {
                urn {
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                },
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              {
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                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              {
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                },
                value fval { 848778, 10, -3 }
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              {
                urn {
                  label "Shape",
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                },
                value fval { 2034, 10, -1 }
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        data {
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            urn {
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            },
            value fval { 6, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
              release "2012.02.08"
            },
            value ivec {
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            }
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        }
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    },
    props {
      {
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          source "openeye.com",
          release "2012.11.26"
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      {
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        },
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      {
        urn {
          label "Features",
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        },
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          "6 9 11 12 13 16 17 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
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    }
  }
}