PC-Compound ::= {
  id {
    id cid 2580740
  },
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      2,
      3,
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      6,
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      h,
      h,
      h,
      h
    },
    charge {
      {
        aid 6,
        value -1
      },
      {
        aid 12,
        value 1
      }
    }
  },
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      1,
      1,
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      4,
      5,
      6,
      7,
      8,
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    }
  },
  stereo {
    planar {
      left 23,
      ltop 20,
      lbottom 40,
      right 24,
      rtop 41,
      rbottom 21,
      parity opposite,
      type planar
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      aid {
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      },
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          },
          data {
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            {
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                label "Energy",
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                label "Fingerprint",
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      data {
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        {
          urn {
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            datatype uintvec,
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  props {
    {
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        source "openeye.com",
        release "2012.02.08"
      },
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        release "2012.01.18"
      },
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    {
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        software "OEShape",
        source "openeye.com",
        release "2012.02.08"
      },
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        "1 6 anion",
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        "1 8 donor",
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        "3 10 11 31 cation",
        "6 10 11 19 22 28 31 rings",
        "6 13 14 15 16 17 18 rings",
        "6 21 25 26 27 29 30 rings"
      }
    }
  },
  count {
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    atom-chiral 0,
    atom-chiral-def 0,
    atom-chiral-undef 0,
    bond-chiral 1,
    bond-chiral-def 1,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 6
  }
}