PC-Compounds ::= {
  {
    id {
      id cid 5462306
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
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        25,
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        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41
      },
      element {
        o,
        o,
        o,
        n,
        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
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        14,
        15,
        16,
        16,
        17,
        18,
        18,
        19,
        19,
        19,
        20,
        21,
        22,
        22,
        22
      },
      aid2 {
        8,
        14,
        15,
        22,
        20,
        38,
        7,
        12,
        19,
        6,
        8,
        9,
        10,
        7,
        16,
        11,
        23,
        15,
        24,
        12,
        25,
        26,
        13,
        14,
        13,
        27,
        28,
        29,
        30,
        18,
        20,
        17,
        17,
        31,
        32,
        21,
        33,
        34,
        35,
        36,
        21,
        37,
        39,
        40,
        41
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 5,
        above 6,
        top 8,
        bottom 9,
        below 10,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 4,
        top 6,
        bottom 11,
        below 23,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 1,
        top 15,
        bottom 5,
        below 24,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41
        },
        conformers {
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            y {
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            z {
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              { 9059, 10, -4 },
              { -9576, 10, -4 },
              { 57, 10, -2 },
              { 16495, 10, -4 },
              { 12783, 10, -4 }
            },
            data {
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              {
                urn {
                  label "Energy",
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                  software "Szybki",
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                value fval { 789848, 10, -4 }
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              {
                urn {
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              },
              {
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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",
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          datatype stringlist,
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "13 -0.14",
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      {
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        },
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          "1 4 cation",
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          "6 10 13 14 18 20 21 rings",
          "6 4 5 6 7 9 12 rings",
          "6 5 6 7 10 11 13 rings",
          "6 5 6 8 15 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 22,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}