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        "68 0.4",
        "69 0.15",
        "7 -0.55",
        "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 -0.62",
        "80 0.15",
        "81 0.15"
      }
    },
    {
      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 { 11, 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 {
        "12",
        "1 1 acceptor",
        "1 2 acceptor",
        "1 3 acceptor",
        "1 3 donor",
        "1 4 acceptor",
        "1 6 cation",
        "1 7 donor",
        "1 8 acceptor",
        "6 16 17 22 23 25 26 rings",
        "6 24 27 28 29 30 31 rings",
        "6 33 35 36 39 40 41 rings",
        "6 8 34 37 38 42 43 rings"
      }
    }
  },
  count {
    heavy-atom 43,
    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
  }
}