PC-Compounds ::= {
  {
    id {
      id cid 774916
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
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        20,
        21
      },
      element {
        o,
        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,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
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      },
      aid2 {
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        10,
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        10,
        11,
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        8,
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        10,
        14,
        15,
        12,
        17,
        18,
        19
      },
      order {
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        single,
        single,
        single,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 6,
        top 9,
        bottom 8,
        below 13,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          14,
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          16,
          17,
          18,
          19,
          20,
          21
        },
        conformers {
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              { 701, 10, -3 },
              { -22162, 10, -4 },
              { 20482, 10, -4 },
              { 5283, 10, -4 },
              { 155, 10, -4 },
              { -14313, 10, -4 },
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              { -23569, 10, -4 },
              { 15047, 10, -4 },
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              { -14612, 10, -4 },
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            y {
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              { -28771, 10, -4 },
              { 11538, 10, -4 },
              { 12825, 10, -4 },
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              { -17928, 10, -4 },
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              { -3622, 10, -4 },
              { -10846, 10, -4 },
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              { 32261, 10, -4 },
              { 2188, 10, -3 },
              { -2376, 10, -3 },
              { 10929, 10, -4 }
            },
            z {
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              { 443, 10, -3 },
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            data {
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              {
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                  version "2.1",
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                },
                value fval { 40716, 10, -3 }
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              {
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              },
              {
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                },
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              {
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                },
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              {
                urn {
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        data {
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          {
            urn {
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      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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      {
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      {
        urn {
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          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 donor",
          "3 1 3 9 anion",
          "3 2 4 10 anion"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}