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        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.05.21"
      },
      value fval { 82, 10, -1 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
        "10",
        "1 1 acceptor",
        "1 2 acceptor",
        "1 3 acceptor",
        "1 3 donor",
        "1 5 acceptor",
        "1 7 cation",
        "5 7 15 17 18 21 rings",
        "6 18 21 26 28 32 33 rings",
        "6 20 22 27 29 34 35 rings",
        "6 36 37 38 39 40 41 rings"
      }
    }
  },
  count {
    heavy-atom 41,
    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 1
  }
}