PC-Compounds ::= {
  {
    id {
      id cid 33039
    },
    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
      },
      element {
        f,
        o,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        3,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        15,
        15,
        17,
        17,
        17
      },
      aid2 {
        10,
        8,
        11,
        12,
        27,
        14,
        16,
        8,
        13,
        14,
        14,
        16,
        26,
        9,
        18,
        10,
        19,
        20,
        11,
        21,
        12,
        22,
        23,
        24,
        15,
        25,
        16,
        17,
        28,
        29,
        30
      },
      order {
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 8,
        above 2,
        top 6,
        bottom 9,
        below 18,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 1,
        top 9,
        bottom 11,
        below 21,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 2,
        top 10,
        bottom 12,
        below 22,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          20,
          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30
        },
        conformers {
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              { -36158, 10, -4 },
              { -36178, 10, -4 },
              { -18405, 10, -4 },
              { -35997, 10, -4 },
              { 369, 10, -4 },
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              { -24278, 10, -4 },
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              { 30026, 10, -4 }
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            y {
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              { -32532, 10, -4 },
              { -2932, 10, -3 },
              { -27295, 10, -4 }
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            z {
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              { 1222, 10, -4 },
              { 1499, 10, -4 },
              { -3412, 10, -4 },
              { 4913, 10, -4 },
              { -12708, 10, -4 }
            },
            data {
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              {
                urn {
                  label "Feature",
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                  software "PubChem",
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                },
                value fval { 40601, 10, -3 }
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              {
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              {
                urn {
                  label "Shape",
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                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              {
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              {
                urn {
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        },
        data {
          {
            urn {
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            },
            value fval { 6, 10, -1 }
          },
          {
            urn {
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              datatype uintvec,
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            },
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    },
    props {
      {
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          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
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        },
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          "13 -0.04",
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          "6 -0.47",
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          "8 0.58"
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      },
      {
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          software "OEChem",
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          release "2012.11.26"
        },
        value fval { 3, 10, 0 }
      },
      {
        urn {
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          datatype stringlist,
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          release "2012.11.26"
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        value slist {
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          "1 5 acceptor",
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          "5 2 8 9 10 11 rings",
          "6 6 7 13 14 15 16 rings"
        }
      }
    },
    count {
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      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}