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        "55 0.37",
        "6 -0.02",
        "62 0.15",
        "65 0.15",
        "66 0.15",
        "7 -0.57",
        "73 0.15",
        "8 -0.81",
        "80 0.15",
        "81 0.15",
        "82 0.15",
        "9 -0.73"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.01.18"
      },
      value fval { 144, 10, -1 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "15",
        "1 10 cation",
        "1 11 cation",
        "1 12 acceptor",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 7 acceptor",
        "1 8 cation",
        "1 9 donor",
        "3 18 19 20 hydrophobe",
        "5 10 22 23 24 25 rings",
        "5 2 41 42 43 44 rings",
        "5 6 12 33 39 40 rings",
        "6 23 25 27 28 31 34 rings",
        "6 4 11 29 30 35 36 rings",
        "6 8 13 14 15 16 17 rings"
      }
    }
  },
  count {
    heavy-atom 44,
    atom-chiral 0,
    atom-chiral-def 0,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 2
  }
}