PC-Compounds ::= {
  {
    id {
      id cid 10943902
    },
    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
      },
      element {
        s,
        o,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        3,
        3,
        4,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        11,
        11,
        12,
        12,
        14,
        14,
        14
      },
      aid2 {
        7,
        12,
        10,
        11,
        24,
        13,
        25,
        13,
        7,
        9,
        10,
        8,
        15,
        10,
        11,
        16,
        12,
        13,
        17,
        14,
        18,
        19,
        20,
        21,
        22,
        23
      },
      order {
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 1,
        top 6,
        bottom 8,
        below 15,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 7,
        top 11,
        bottom 10,
        below 16,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 6,
        top 13,
        bottom 12,
        below 17,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 3,
        top 8,
        bottom 14,
        below 18,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
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          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25
        },
        conformers {
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              { 4007, 10, -4 },
              { -4844, 10, -4 },
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              { -35562, 10, -4 },
              { -572, 10, -3 },
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              { 17869, 10, -4 },
              { -24437, 10, -4 },
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              { 23288, 10, -4 },
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              { -3898, 10, -3 },
              { -31826, 10, -4 },
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            },
            y {
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              { -20281, 10, -4 },
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              { 10641, 10, -4 },
              { -15859, 10, -4 },
              { 1431, 10, -3 }
            },
            z {
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              { 4818, 10, -4 },
              { -1879, 10, -4 },
              { -11053, 10, -4 },
              { 1225, 10, -3 },
              { 413, 10, -3 }
            },
            data {
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              {
                urn {
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                },
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              {
                urn {
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              },
              {
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                  source "openeye.com",
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                },
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              {
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              {
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        data {
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            },
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          {
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    },
    props {
      {
        urn {
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          name "MMFF94 Partial",
          datatype stringlist,
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      },
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      {
        urn {
          label "Features",
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        },
        value slist {
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          "1 4 acceptor",
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          "3 4 5 13 anion",
          "7 1 6 7 8 9 10 12 rings"
        }
      }
    },
    count {
      heavy-atom 14,
      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
    }
  }
}