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          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "5 -0.66",
          "6 -0.66",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 0.05",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.4",
          "79 0.15",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "9 0.28"
        }
      },
      {
        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 {
          "11",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 37 hydrophobe",
          "1 4 acceptor",
          "1 7 cation",
          "5 7 14 16 18 20 rings",
          "6 18 20 28 30 32 34 rings",
          "6 19 21 29 31 33 35 rings",
          "6 36 38 39 40 41 42 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}