PC-Compounds ::= {
  {
    id {
      id cid 21769099
    },
    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
      },
      element {
        o,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 5,
          value 1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11
      },
      aid2 {
        7,
        22,
        8,
        23,
        9,
        24,
        11,
        25,
        6,
        10,
        15,
        16,
        7,
        11,
        12,
        8,
        13,
        9,
        14,
        10,
        17,
        18,
        19,
        20,
        21
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 5,
        top 7,
        bottom 11,
        below 12,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 1,
        top 8,
        bottom 6,
        below 13,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 2,
        top 7,
        bottom 9,
        below 14,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 3,
        top 10,
        bottom 8,
        below 17,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
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          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25
        },
        conformers {
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              { -7683, 10, -4 },
              { -11772, 10, -4 },
              { -1389, 10, -4 },
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              { 16237, 10, -4 },
              { 5688, 10, -4 },
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              { -1217, 10, -3 },
              { -1892, 10, -4 },
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              { -7767, 10, -4 },
              { -14708, 10, -4 },
              { 175, 10, -2 },
              { 754, 10, -3 },
              { 52, 10, -2 },
              { -25926, 10, -4 },
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              { -4291, 10, -4 },
              { 21007, 10, -4 },
              { 30806, 10, -4 },
              { -4333, 10, -3 }
            },
            y {
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              { 19012, 10, -4 },
              { -3459, 10, -4 },
              { -12727, 10, -4 },
              { -21398, 10, -4 },
              { -14652, 10, -4 },
              { 20607, 10, -4 },
              { 4883, 10, -4 }
            },
            z {
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              { 4158, 10, -4 },
              { -315, 10, -3 },
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              { 3024, 10, -4 },
              { -2252, 10, -4 },
              { 2046, 10, -4 },
              { -1989, 10, -4 },
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              { -12805, 10, -4 },
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              { -12631, 10, -4 },
              { 13954, 10, -4 },
              { -855, 10, -4 },
              { -13919, 10, -4 },
              { 13794, 10, -4 },
              { -106, 10, -4 },
              { 2002, 10, -4 }
            },
            data {
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              {
                urn {
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
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              {
                urn {
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                  software "PubChem",
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                value fval { 55836, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
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                  datatype stringlist,
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              },
              {
                urn {
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                  software "OEShape",
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                  release "2012.11.26"
                },
                value fvec {
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                  software "PubChem",
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              {
                urn {
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        data {
          {
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          {
            urn {
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              datatype uintvec,
              release "2012.02.08"
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    },
    props {
      {
        urn {
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          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
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        value slist {
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      {
        urn {
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          "1 4 donor",
          "1 5 cation",
          "1 5 donor",
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        }
      }
    },
    count {
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      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}