PC-Compounds ::= {
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          "21 -0.3",
          "22 -0.29",
          "23 -0.29",
          "24 0.14",
          "25 0.14",
          "26 -0.28",
          "27 0.14",
          "28 0.66",
          "29 0.14",
          "3 -0.68",
          "30 0.66",
          "31 0.06",
          "32 0.06",
          "4 -0.68",
          "45 0.4",
          "46 0.15",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.43",
          "50 0.4",
          "6 -0.57",
          "7 -0.57",
          "8 -0.57",
          "9 0.14"
        }
      },
      {
        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 { 68, 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 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "5 1 9 13 16 18 rings"
        }
      }
    },
    count {
      heavy-atom 32,
      atom-chiral 5,
      atom-chiral-def 0,
      atom-chiral-undef 5,
      bond-chiral 2,
      bond-chiral-def 2,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}