PC-Compounds ::= {
  {
    id {
      id cid 10197984
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22
      },
      element {
        o,
        o,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        4,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11
      },
      aid2 {
        8,
        11,
        12,
        21,
        12,
        13,
        22,
        13,
        10,
        19,
        20,
        8,
        9,
        10,
        14,
        9,
        15,
        12,
        16,
        11,
        13,
        17,
        18
      },
      order {
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 8,
        top 9,
        bottom 10,
        below 14,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 1,
        top 9,
        bottom 7,
        below 15,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 7,
        top 12,
        bottom 8,
        below 16,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 6,
        top 11,
        bottom 7,
        below 13,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
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          10,
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          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22
        },
        conformers {
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              { 34596, 10, -4 },
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              { -1974, 10, -4 },
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            y {
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              { -691, 10, -4 },
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              { -5081, 10, -4 },
              { -3922, 10, -4 },
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              { 8842, 10, -4 },
              { 2265, 10, -4 },
              { 6398, 10, -4 }
            },
            z {
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              { -5999, 10, -4 },
              { 2484, 10, -4 },
              { -7879, 10, -4 },
              { 19115, 10, -4 },
              { 103, 10, -4 },
              { -10896, 10, -4 },
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              { 4638, 10, -4 },
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              { 23528, 10, -4 },
              { 22431, 10, -4 },
              { 9141, 10, -4 },
              { -1139, 10, -4 }
            },
            data {
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              {
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                  software "Szybki",
                  source "openeye.com",
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              {
                urn {
                  label "Feature",
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                  software "PubChem",
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                },
                value fval { 50859, 10, -3 }
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              {
                urn {
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                  datatype stringlist,
                  version "2.1",
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              },
              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              },
              {
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              {
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        data {
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          {
            urn {
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            value ivec {
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          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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      {
        urn {
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          "1 6 donor",
          "3 2 3 12 anion",
          "3 4 5 13 anion",
          "6 1 7 8 9 10 11 rings"
        }
      }
    },
    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
    }
  }
}