PC-Compounds ::= {
  {
    id {
      id cid 439712
    },
    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
      },
      element {
        o,
        o,
        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
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        15,
        15,
        16,
        16,
        17
      },
      aid2 {
        3,
        7,
        5,
        26,
        4,
        8,
        18,
        5,
        19,
        20,
        6,
        21,
        7,
        9,
        10,
        11,
        12,
        13,
        22,
        14,
        23,
        15,
        24,
        16,
        25,
        14,
        27,
        28,
        17,
        29,
        17,
        30,
        31
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 3,
        above 1,
        top 4,
        bottom 8,
        below 18,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 5,
        above 2,
        top 4,
        bottom 6,
        below 21,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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        aid {
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          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31
        },
        conformers {
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            y {
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            z {
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              { -625, 10, -4 },
              { -14241, 10, -4 },
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              { 4527, 10, -4 }
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            data {
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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 {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
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      {
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          "6 8 11 12 15 16 17 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 1,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
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      tautomers 1
    }
  }
}