PC-Compound ::= {
  id {
    id cid 444162
  },
  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,
      o,
      o,
      o,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      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,
      5,
      6,
      6,
      6,
      7,
      7,
      7,
      8,
      8,
      8,
      9,
      9,
      10,
      10,
      11,
      11,
      12,
      13,
      13,
      14,
      15,
      15,
      15
    },
    aid2 {
      11,
      12,
      9,
      26,
      10,
      27,
      13,
      28,
      14,
      8,
      14,
      23,
      12,
      24,
      25,
      9,
      12,
      16,
      10,
      17,
      11,
      18,
      13,
      19,
      20,
      21,
      22,
      15,
      29,
      30,
      31
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      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 8,
      above 6,
      top 12,
      bottom 9,
      below 16,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 9,
      above 2,
      top 10,
      bottom 8,
      below 17,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 10,
      above 3,
      top 9,
      bottom 11,
      below 18,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 11,
      above 1,
      top 10,
      bottom 13,
      below 19,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 12,
      above 1,
      top 7,
      bottom 8,
      below 20,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
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        computed,
        units-angstroms
      },
      aid {
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        6,
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        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31
      },
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          y {
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          z {
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          },
          data {
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            {
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            {
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      data {
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        {
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  props {
    {
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        label "Charge",
        name "MMFF94 Partial",
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        release "2012.02.08"
      },
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    {
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    {
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        "1 6 donor",
        "1 7 cation",
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      }
    }
  },
  count {
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    atom-chiral 5,
    atom-chiral-def 4,
    atom-chiral-undef 1,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
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    covalent-unit 1,
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  }
}