PC-Compounds ::= {
  {
    id {
      id cid 16666
    },
    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,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        2,
        2,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11
      },
      aid2 {
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        31,
        3,
        4,
        8,
        12,
        6,
        13,
        7,
        14,
        15,
        6,
        7,
        9,
        16,
        17,
        18,
        19,
        20,
        10,
        11,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30
      },
      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,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 2,
        above 3,
        top 4,
        bottom 8,
        below 12,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 3,
        above 1,
        top 2,
        bottom 6,
        below 13,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 5,
        above 6,
        top 7,
        bottom 9,
        below 16,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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        aid {
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          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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              { -18739, 10, -4 },
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              { 13836, 10, -4 }
            },
            data {
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              {
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                  source "openeye.com",
                  release "2012.01.18"
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                value fval { 209969, 10, -4 }
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              {
                urn {
                  label "Feature",
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              },
              {
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                },
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        data {
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          {
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    },
    props {
      {
        urn {
          label "Charge",
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        }
      }
    },
    count {
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      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 1
    }
  }
}