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        "19 0.57",
        "2 -0.18",
        "20 0.34",
        "21 0.08",
        "23 -0.15",
        "24 -0.15",
        "25 0.08",
        "26 0.18",
        "27 -0.15",
        "28 -0.15",
        "29 -0.15",
        "3 -0.36",
        "30 -0.15",
        "31 0.18",
        "32 -0.15",
        "33 -0.15",
        "4 -0.57",
        "47 0.37",
        "5 -0.36",
        "55 0.15",
        "56 0.15",
        "57 0.15",
        "58 0.15",
        "59 0.15",
        "6 -0.57",
        "60 0.15",
        "61 0.15",
        "62 0.15",
        "7 -0.81",
        "8 -0.66",
        "9 -0.73"
      }
    },
    {
      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 { 122, 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 {
        "9",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 6 acceptor",
        "1 7 cation",
        "1 9 donor",
        "6 21 23 24 26 27 28 rings",
        "6 25 29 30 31 32 33 rings",
        "6 7 8 10 11 12 13 rings"
      }
    }
  },
  count {
    heavy-atom 33,
    atom-chiral 2,
    atom-chiral-def 0,
    atom-chiral-undef 2,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 2
  }
}