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        "20 -0.14",
        "21 -0.14",
        "23 -0.14",
        "24 0.08",
        "27 0.14",
        "28 0.14",
        "3 -0.57",
        "30 0.14",
        "33 0.66",
        "34 0.06",
        "4 0.28"
      }
    },
    {
      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 { 148, 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 {
        "7",
        "1 1 acceptor",
        "1 18 hydrophobe",
        "1 25 hydrophobe",
        "1 3 acceptor",
        "3 29 31 32 hydrophobe",
        "6 1 4 6 10 13 14 rings",
        "6 13 14 20 21 23 24 rings"
      }
    }
  },
  count {
    heavy-atom 34,
    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
  }
}