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        "1 -0.12",
        "10 0.05",
        "11 -0.66",
        "12 -0.41",
        "13 0.3",
        "16 0.27",
        "17 0.27",
        "18 0.27",
        "2 -0.08",
        "21 0.71",
        "22 -0.24",
        "23 -0.15",
        "24 -0.15",
        "26 0.44",
        "27 0.3",
        "29 0.06",
        "3 -0.57",
        "30 -0.15",
        "31 -0.15",
        "32 0.57",
        "33 0.3",
        "34 0.09",
        "35 0.11",
        "36 -0.15",
        "37 0.28",
        "38 0.63",
        "39 -0.15",
        "4 -0.43",
        "40 0.14",
        "41 0.04",
        "42 -0.15",
        "43 -0.15",
        "44 0.16",
        "5 -0.57",
        "55 0.37",
        "6 -0.02",
        "62 0.15",
        "7 -0.57",
        "73 0.15",
        "74 0.15",
        "75 0.15",
        "78 0.15",
        "79 0.15",
        "8 -0.81",
        "80 0.15",
        "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 { 14, 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 {
        "14",
        "1 10 cation",
        "1 12 acceptor",
        "1 3 acceptor",
        "1 5 acceptor",
        "1 7 acceptor",
        "1 8 cation",
        "1 9 donor",
        "3 18 19 20 hydrophobe",
        "5 10 22 23 24 25 rings",
        "5 11 27 28 29 32 rings",
        "5 2 41 42 43 44 rings",
        "5 6 12 35 39 40 rings",
        "6 23 25 30 31 34 36 rings",
        "6 8 13 14 15 16 17 rings"
      }
    }
  },
  count {
    heavy-atom 44,
    atom-chiral 0,
    atom-chiral-def 0,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 4
  }
}