PC-Compounds ::= {
  {
    id {
      id cid 85782
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
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        20,
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      },
      element {
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        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
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        8,
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        9,
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      },
      aid2 {
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        10,
        19,
        12,
        20,
        13,
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        13,
        7,
        8,
        9,
        13,
        14,
        10,
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        11,
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        12,
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      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 1,
        top 6,
        bottom 13,
        below 14,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          14,
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          16,
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          18,
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          20,
          21
        },
        conformers {
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              { 3178, 10, -4 },
              { 17854, 10, -4 },
              { -2867, 10, -4 },
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            y {
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              { -9, 10, -2 },
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              { -1633, 10, -4 },
              { -454, 10, -3 },
              { -24298, 10, -4 }
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            data {
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                  release "2009.12.11"
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                urn {
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                },
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              {
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                  version "2.1",
                  software "PubChem",
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              },
              {
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                  release "2012.11.26"
                },
                value fvec {
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              {
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              {
                urn {
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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 {
          label "Charge",
          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
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      {
        urn {
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        },
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          "1 5 acceptor",
          "3 4 5 13 anion",
          "6 6 8 9 10 11 12 rings"
        }
      }
    },
    count {
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      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 10
    }
  }
}