PC-Compounds ::= {
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    id {
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        top 12,
        bottom 13,
        below 32,
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      tetrahedral {
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        bottom 16,
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        top 2,
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          "5 -0.68",
          "50 0.15",
          "51 0.45",
          "52 0.45",
          "53 0.15",
          "54 0.15",
          "55 0.45",
          "6 -0.68",
          "7 -0.53",
          "8 -0.57",
          "9 -0.53"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 82, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "17",
          "1 1 acceptor",
          "1 10 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 donor",
          "1 8 acceptor",
          "1 9 donor",
          "6 1 11 12 13 14 15 rings",
          "6 17 18 19 21 23 25 rings",
          "6 26 27 28 29 30 31 rings"
        }
      }
    },
    count {
      heavy-atom 31,
      atom-chiral 5,
      atom-chiral-def 5,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 42
    }
  }
}