PC-Compounds ::= {
  {
    id {
      id cid 11625818
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49
      },
      element {
        f,
        o,
        n,
        n,
        n,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        c,
        c,
        c,
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        c,
        c,
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        c,
        c,
        c,
        c,
        c,
        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,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        12,
        12,
        12,
        13,
        14,
        14,
        15,
        16,
        16,
        16,
        17,
        17,
        18,
        19,
        20,
        21,
        21,
        22,
        22,
        23,
        23,
        25,
        25,
        26,
        27,
        27,
        28,
        28,
        29,
        30,
        31
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      aid2 {
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        13,
        11,
        13,
        17,
        10,
        18,
        35,
        11,
        15,
        18,
        31,
        19,
        30,
        44,
        24,
        30,
        24,
        31,
        11,
        12,
        32,
        16,
        33,
        34,
        14,
        15,
        20,
        21,
        36,
        37,
        38,
        22,
        23,
        19,
        24,
        25,
        26,
        39,
        27,
        40,
        28,
        41,
        26,
        42,
        43,
        29,
        45,
        29,
        46,
        47,
        48,
        49
      },
      order {
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
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        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 10,
        above 4,
        top 12,
        bottom 11,
        below 32,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
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          30,
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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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              { 11367, 10, -4 }
            },
            data {
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                },
                value sval "00B1655A00000001"
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              {
                urn {
                  label "Energy",
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                },
                value fval { 61168, 10, -3 }
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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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                  release "2012.11.26"
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                value fval { 3127, 10, -1 }
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        data {
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              label "Conformer",
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              release "2009.12.11"
            },
            value fval { 8, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
            },
            value ivec {
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    },
    props {
      {
        urn {
          label "Charge",
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          datatype stringlist,
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          software "OEChem",
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          release "2012.11.26"
        },
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      },
      {
        urn {
          label "Count",
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          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 5, 10, 0 }
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      {
        urn {
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "1 4 donor",
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          "3 4 6 18 cation",
          "3 6 9 31 cation",
          "3 7 8 30 cation",
          "5 7 8 19 24 30 rings",
          "6 14 15 20 21 25 26 rings",
          "6 17 22 23 27 28 29 rings",
          "6 3 5 11 13 14 15 rings",
          "6 6 9 18 19 24 31 rings"
        }
      }
    },
    count {
      heavy-atom 31,
      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,
      tautomers 8
    }
  }
}