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          "41 -0.15",
          "42 -0.14",
          "43 -0.15",
          "44 -0.15",
          "45 1.16",
          "5 -0.57",
          "6 -0.68",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.57",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.4",
          "78 0.37",
          "79 0.15",
          "8 -0.66",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "9 0.05"
        }
      },
      {
        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 { 92, 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 11 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 9 cation",
          "5 9 18 20 22 24 rings",
          "6 22 24 29 31 35 36 rings",
          "6 23 25 30 32 37 38 rings",
          "6 39 40 41 42 43 44 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}