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        "40 0.15",
        "41 0.36",
        "42 0.36",
        "43 0.37",
        "44 0.37",
        "45 0.15",
        "46 0.15",
        "47 0.15",
        "48 0.15",
        "5 -0.99",
        "6 -0.8",
        "7 0.36",
        "8 0.14",
        "9 0.44"
      }
    },
    {
      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 { 68, 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 {
        "8",
        "1 2 acceptor",
        "1 3 acceptor",
        "1 5 cation",
        "1 5 donor",
        "1 6 donor",
        "6 10 11 17 18 19 20 rings",
        "6 21 22 23 24 25 26 rings",
        "6 4 7 8 9 10 11 rings"
      }
    }
  },
  count {
    heavy-atom 26,
    atom-chiral 2,
    atom-chiral-def 2,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 2
  }
}