PC-Compounds ::= {
  {
    id {
      id cid 70239306
    },
    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,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43
      },
      element {
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        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
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        3,
        3,
        4,
        5,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        22,
        22,
        23,
        23,
        24,
        24,
        24,
        25
      },
      aid2 {
        6,
        16,
        16,
        21,
        43,
        21,
        6,
        7,
        9,
        26,
        11,
        27,
        8,
        10,
        12,
        13,
        14,
        28,
        15,
        29,
        18,
        30,
        19,
        20,
        17,
        31,
        16,
        32,
        17,
        21,
        33,
        24,
        34,
        22,
        35,
        23,
        36,
        25,
        37,
        25,
        38,
        39,
        40,
        41,
        42
      },
      order {
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 5,
        above 6,
        top 7,
        bottom 9,
        below 26,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 6,
        above 1,
        top 11,
        bottom 5,
        below 27,
        parity counterclockwise,
        type tetrahedral
      },
      planar {
        left 11,
        ltop 6,
        lbottom 30,
        right 18,
        rtop 34,
        rbottom 24,
        parity opposite,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
          4,
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          6,
          7,
          8,
          9,
          10,
          11,
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          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43
        },
        conformers {
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            y {
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              { -17774, 10, -4 }
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              { -82, 10, -2 },
              { 4148, 10, -4 }
            },
            data {
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              {
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                },
                value fval { 40654, 10, -3 }
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              },
              {
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              {
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        data {
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            value fval { 8, 10, -1 }
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          {
            urn {
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    },
    props {
      {
        urn {
          label "Charge",
          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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        },
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          "6 12 19 20 22 23 25 rings",
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        }
      }
    },
    count {
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      atom-chiral-undef 0,
      bond-chiral 1,
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      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}