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        "40 -0.15",
        "41 -0.15",
        "42 -0.15",
        "43 -0.15",
        "44 -0.15",
        "5 -0.57",
        "6 -0.66",
        "65 0.15",
        "66 0.15",
        "67 0.15",
        "68 0.37",
        "69 0.4",
        "7 -0.81",
        "70 0.15",
        "71 0.15",
        "72 0.15",
        "73 0.15",
        "74 0.15",
        "75 0.15",
        "76 0.15",
        "77 0.15",
        "78 0.15",
        "79 0.15",
        "8 -0.55",
        "80 0.15",
        "81 0.15",
        "82 0.15",
        "9 -0.62"
      }
    },
    {
      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 { 12, 10, 0 }
    },
    {
      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 {
        "13",
        "1 1 acceptor",
        "1 2 acceptor",
        "1 3 acceptor",
        "1 3 donor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 7 cation",
        "1 8 donor",
        "1 9 acceptor",
        "6 17 18 23 24 26 27 rings",
        "6 25 28 29 31 32 33 rings",
        "6 37 40 41 42 43 44 rings",
        "6 9 34 35 36 38 39 rings"
      }
    }
  },
  count {
    heavy-atom 44,
    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
  }
}