PC-Compounds ::= {
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          "28 0.28",
          "29 -0.15",
          "3 -0.81",
          "4 0.31",
          "43 0.15",
          "44 0.15",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.34",
          "50 0.45",
          "51 0.15",
          "52 0.15",
          "56 0.15",
          "6 -0.42"
        }
      },
      {
        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 { 72, 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 {
          "8",
          "1 1 acceptor",
          "1 2 donor",
          "1 3 cation",
          "3 4 5 16 cation",
          "5 4 5 6 7 16 rings",
          "6 15 17 18 20 21 22 rings",
          "6 23 24 25 26 27 29 rings",
          "6 3 8 9 10 11 12 rings"
        }
      }
    },
    count {
      heavy-atom 29,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}