PC-Compounds ::= {
  {
    id {
      id cid 5311344
    },
    atoms {
      aid {
        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,
        27,
        28,
        29,
        30
      },
      element {
        o,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        3,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17
      },
      aid2 {
        11,
        26,
        11,
        12,
        30,
        12,
        9,
        22,
        23,
        7,
        8,
        9,
        18,
        8,
        10,
        19,
        11,
        20,
        12,
        21,
        13,
        14,
        15,
        24,
        16,
        25,
        17,
        27,
        17,
        28,
        29
      },
      order {
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 7,
        top 8,
        bottom 9,
        below 18,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 6,
        top 10,
        bottom 8,
        below 19,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 6,
        top 11,
        bottom 7,
        below 20,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 5,
        top 6,
        bottom 12,
        below 21,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          14,
          15,
          16,
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          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30
        },
        conformers {
          {
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            y {
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              { 27472, 10, -4 },
              { 15914, 10, -4 },
              { -37426, 10, -4 }
            },
            z {
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              { -8013, 10, -4 },
              { -11786, 10, -4 },
              { 18506, 10, -4 },
              { 6557, 10, -4 },
              { 189, 10, -4 }
            },
            data {
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              {
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              {
                urn {
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                },
                value fval { 45784, 10, -3 }
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              {
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              },
              {
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                value fvec {
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              {
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        data {
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          {
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            value ivec {
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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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      },
      {
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        },
        value fval { 46, 10, -1 }
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      {
        urn {
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        value slist {
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          "1 3 acceptor",
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          "1 5 cation",
          "1 5 donor",
          "3 1 2 11 anion",
          "3 3 4 12 anion",
          "6 10 13 14 15 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 17,
      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}