PC-Compounds ::= {
  {
    id {
      id cid 10125124
    },
    atoms {
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        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,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        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,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        10
      },
      aid2 {
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        9,
        11,
        20,
        12,
        21,
        11,
        12,
        7,
        8,
        14,
        10,
        11,
        9,
        12,
        13,
        15,
        16,
        17,
        18,
        19
      },
      order {
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        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 1,
        top 10,
        bottom 6,
        below 11,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 6,
        top 12,
        bottom 9,
        below 13,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
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          units-angstroms
        },
        aid {
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          13,
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          15,
          16,
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          18,
          19,
          20,
          21
        },
        conformers {
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              { -26685, 10, -4 },
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              { -10473, 10, -4 },
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              { 2, 10, 0 },
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            },
            y {
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              { -23627, 10, -4 },
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              { 17581, 10, -4 },
              { 88, 10, -4 }
            },
            z {
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              { 827, 10, -3 },
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              { -18562, 10, -4 },
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              { 7291, 10, -4 }
            },
            data {
              {
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                  release "2009.12.11"
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              {
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              {
                urn {
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                  software "PubChem",
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                  release "2012.11.26"
                },
                value fval { 45783, 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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                  release "2012.11.26"
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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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                  software "PubChem",
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              {
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        data {
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          {
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        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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      {
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          release "2012.11.26"
        },
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          "1 4 acceptor",
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          "3 2 4 11 anion",
          "3 3 5 12 anion",
          "5 1 6 7 8 9 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
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}