PC-Compounds ::= {
  {
    id {
      id cid 6434217
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        18,
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        20,
        21,
        22,
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        24,
        25,
        26,
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        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41
      },
      element {
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        2,
        2,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        19,
        19,
        19
      },
      aid2 {
        8,
        3,
        4,
        9,
        10,
        5,
        8,
        11,
        6,
        7,
        20,
        6,
        21,
        22,
        23,
        24,
        8,
        12,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        13,
        34,
        14,
        15,
        16,
        35,
        17,
        36,
        18,
        37,
        18,
        38,
        19,
        39,
        40,
        41
      },
      order {
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 3,
        above 2,
        top 5,
        bottom 8,
        below 11,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 4,
        above 2,
        top 6,
        bottom 7,
        below 20,
        parity any,
        type tetrahedral
      },
      planar {
        left 7,
        ltop 4,
        lbottom 8,
        right 12,
        rtop 13,
        rbottom 34,
        parity same,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          4,
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          6,
          7,
          8,
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          10,
          11,
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          19,
          20,
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          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41
        },
        conformers {
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            y {
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              { -18606, 10, -4 },
              { -2065, 10, -4 }
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            z {
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              { 13313, 10, -4 },
              { -2604, 10, -4 },
              { -984, 10, -4 }
            },
            data {
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              {
                urn {
                  label "Energy",
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              {
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                value fval { 20297, 10, -3 }
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              {
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              {
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              {
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        data {
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            value fval { 6, 10, -1 }
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          {
            urn {
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            },
            value ivec {
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    props {
      {
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        },
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      {
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        },
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      {
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        }
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    },
    count {
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      bond-chiral 1,
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      isotope-atom 0,
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      tautomers 1
    }
  }
}