PC-Compounds ::= {
  {
    id {
      id cid 5359375
    },
    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
      },
      element {
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        o,
        o,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 3,
          value -1
        },
        {
          aid 5,
          value 1
        }
      }
    },
    bonds {
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        1,
        2,
        3,
        4,
        4,
        4,
        5,
        5,
        7,
        7,
        7,
        7,
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        8,
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        9,
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      },
      aid2 {
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        10,
        11,
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        19,
        6,
        12,
        8,
        9,
        13,
        14,
        10,
        15,
        11,
        16,
        17,
        12,
        20
      },
      order {
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        single,
        double,
        single,
        single,
        single,
        single,
        triple,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single
      }
    },
    stereo {
      tetrahedral {
        center 8,
        above 4,
        top 7,
        bottom 10,
        below 15,
        parity clockwise,
        type tetrahedral
      },
      planar {
        left 11,
        ltop 3,
        lbottom 9,
        right 12,
        rtop 5,
        rbottom 20,
        parity same,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
          4,
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          11,
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          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21
        },
        conformers {
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              { -28021, 10, -4 },
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              { 46991, 10, -4 },
              { -7455, 10, -4 },
              { -22708, 10, -4 },
              { 431, 10, -4 },
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              { 16373, 10, -4 },
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            y {
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              { 75, 10, -4 },
              { 1469, 10, -4 },
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              { -781, 10, -4 },
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            data {
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                  software "PubChem",
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                },
                value fval { 25431, 10, -3 }
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              {
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                  label "Fingerprint",
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                  version "2.1",
                  software "PubChem",
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              {
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        data {
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            value fval { 6, 10, -1 }
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          {
            urn {
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    props {
      {
        urn {
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          name "MMFF94 Partial",
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          software "OEChem",
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        },
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      {
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        },
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      {
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          source "openeye.com",
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        },
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          "1 4 donor",
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        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
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}