PC-Compounds ::= {
  {
    id {
      id cid 53383168
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        51,
        52,
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        55,
        56,
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        o,
        o,
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        c,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        13,
        14,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        22,
        22,
        23,
        23,
        24,
        25,
        26,
        26,
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        28,
        29,
        29,
        30,
        31,
        32,
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        33,
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        35,
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        12,
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        11,
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        18,
        15,
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        21,
        22,
        38,
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        27,
        41,
        24,
        29,
        25,
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        34,
        25,
        43,
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        28,
        44,
        45,
        30,
        46,
        30,
        47,
        31,
        31,
        48,
        50,
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        33,
        51,
        52,
        53,
        54,
        35,
        55,
        36,
        56,
        57
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        single,
        single,
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        single,
        single,
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        single,
        single,
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        single,
        single,
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        single,
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        double,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 6,
        top 11,
        bottom 12,
        below 37,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
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          6,
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          38,
          39,
          40,
          41,
          42,
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          47,
          48,
          49,
          50,
          51,
          52,
          53,
          54,
          55,
          56,
          57
        },
        conformers {
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              { -387, 10, -3 }
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            z {
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              { 47983, 10, -4 }
            },
            data {
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                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2011.09.13"
                },
                value sval "032E900000000003"
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              {
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                  label "Energy",
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                  label "Feature",
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                },
                value fval { 66082, 10, -3 }
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              {
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                }
              },
              {
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                  label "Shape",
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                  software "OEShape",
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                  release "2012.11.26"
                },
                value fvec {
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                  { 4, 10, 0 },
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              {
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 1565748, 10, -3 }
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              {
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                },
                value fval { 3617, 10, -1 }
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        data {
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              release "2011.09.13"
            },
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          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
            },
            value ivec {
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    },
    props {
      {
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          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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          "16 -0.15",
          "17 -0.15",
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        }
      },
      {
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          label "Count",
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          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 68, 10, -1 }
      },
      {
        urn {
          label "Features",
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          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 3 acceptor",
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          "5 5 21 34 35 36 rings",
          "6 10 14 16 20 22 25 rings",
          "6 11 17 18 26 27 30 rings",
          "6 19 23 24 28 29 31 rings",
          "6 3 4 23 28 32 33 rings",
          "6 6 8 10 13 14 15 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
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      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}