PC-Compounds ::= {
  {
    id {
      id cid 11769129
    },
    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
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        7,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12
      },
      aid2 {
        8,
        10,
        7,
        20,
        8,
        21,
        9,
        22,
        11,
        23,
        12,
        24,
        8,
        9,
        13,
        11,
        10,
        14,
        12,
        15,
        16,
        17,
        18,
        19
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 2,
        top 8,
        bottom 9,
        below 13,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 1,
        top 3,
        bottom 7,
        below 11,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 4,
        top 10,
        bottom 7,
        below 14,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 1,
        top 12,
        bottom 9,
        below 15,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24
        },
        conformers {
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              { -31482, 10, -4 },
              { 30552, 10, -4 },
              { -6742, 10, -4 },
              { -8994, 10, -4 },
              { 7139, 10, -4 },
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              { -1894, 10, -3 },
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              { -14371, 10, -4 },
              { 12682, 10, -4 },
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              { -20179, 10, -4 },
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              { -42, 10, -3 },
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              { 125, 10, -3 },
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              { 37334, 10, -4 }
            },
            y {
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              { 7478, 10, -4 },
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              { -1885, 10, -4 },
              { 9544, 10, -4 },
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              { -13304, 10, -4 },
              { -31225, 10, -4 },
              { 2504, 10, -4 },
              { 19869, 10, -4 }
            },
            z {
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              { 19836, 10, -4 },
              { -15865, 10, -4 },
              { -5436, 10, -4 },
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              { -2184, 10, -4 },
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              { 19795, 10, -4 },
              { -15932, 10, -4 },
              { -791, 10, -4 },
              { -5813, 10, -4 },
              { 3482, 10, -4 }
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            data {
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              {
                urn {
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                  datatype double,
                  version "2.1",
                  software "PubChem",
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                },
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              {
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              {
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                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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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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          release "2012.11.26"
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      {
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      {
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          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 6 donor",
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        }
      }
    },
    count {
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      atom-chiral 4,
      atom-chiral-def 3,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}