PC-Compounds ::= {
  {
    id {
      id cid 53495258
    },
    atoms {
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        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
      },
      element {
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 3,
          value -1
        },
        {
          aid 7,
          value 1
        }
      }
    },
    bonds {
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        1,
        2,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        12,
        12,
        13,
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        15,
        15,
        16,
        16
      },
      aid2 {
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        7,
        8,
        14,
        21,
        11,
        14,
        24,
        17,
        9,
        10,
        18,
        11,
        19,
        20,
        12,
        13,
        15,
        22,
        16,
        23,
        17,
        25,
        17,
        26
      },
      order {
        double,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 8,
        above 5,
        top 9,
        bottom 10,
        below 18,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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        aid {
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          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
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          25,
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        },
        conformers {
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            y {
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              { 421, 10, -3 },
              { -3948, 10, -4 }
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            z {
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              { 21173, 10, -4 },
              { -21087, 10, -4 }
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            data {
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                },
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              {
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                  name "MMFF94 NoEstat",
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fval { 450109, 10, -4 }
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              {
                urn {
                  label "Feature",
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                  version "2.1",
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                },
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              },
              {
                urn {
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                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              {
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        data {
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          {
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            },
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    },
    props {
      {
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        value fval { 28, 10, -1 }
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      {
        urn {
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "1 6 donor",
          "6 10 12 13 15 16 17 rings",
          "6 5 6 8 9 11 14 rings"
        }
      }
    },
    count {
      heavy-atom 17,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 8
    }
  }
}