PC-Compound ::= {
  id {
    id cid 107905
  },
  atoms {
    aid {
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      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
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      44,
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      48,
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      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
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      c,
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      c,
      c,
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      c,
      c,
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      c,
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      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
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      1,
      1,
      2,
      2,
      3,
      3,
      4,
      4,
      5,
      5,
      6,
      7,
      7,
      8,
      8,
      9,
      9,
      10,
      10,
      11,
      11,
      11,
      12,
      12,
      13,
      13,
      13,
      14,
      14,
      15,
      16,
      16,
      17,
      18,
      18,
      19,
      19,
      20,
      20,
      21,
      21,
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      27,
      27,
      28,
      28,
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      30,
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      30,
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      31,
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      32,
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      14,
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      15,
      17,
      18,
      19,
      20,
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      27,
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      26,
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      28,
      29,
      31,
      44,
      30,
      45,
      32,
      32
    },
    order {
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      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
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      single,
      single,
      single,
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      single,
      single,
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      single,
      double,
      single,
      single,
      single,
      double,
      single,
      single,
      double
    }
  },
  stereo {
    tetrahedral {
      center 11,
      above 2,
      top 12,
      bottom 13,
      below 33,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 12,
      above 1,
      top 11,
      bottom 16,
      below 34,
      parity clockwise,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      aid {
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        4,
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        6,
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        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50
      },
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          z {
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          },
          data {
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              value fvec {
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                release "2012.11.26"
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      data {
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        {
          urn {
            label "Diverse Conformer",
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            datatype uintvec,
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  props {
    {
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        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
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    {
      urn {
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        software "OEShape",
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        "1 7 donor",
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        "6 1 11 12 13 14 15 rings",
        "6 14 15 17 18 21 22 rings",
        "6 16 19 20 24 25 26 rings",
        "6 27 28 29 30 31 32 rings"
      }
    }
  },
  count {
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    atom-chiral 2,
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    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
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  }
}