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        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "50",
        "1 -0.56",
        "10 0.03",
        "11 0.3",
        "12 0.86",
        "13 0.64",
        "15 0.36",
        "16 0.14",
        "17 0.27",
        "18 0.3",
        "19 0.57",
        "2 -0.68",
        "21 0.06",
        "23 0.57",
        "25 0.27",
        "26 0.18",
        "27 -0.14",
        "28 0.14",
        "29 0.57",
        "3 -0.57",
        "31 -0.18",
        "34 0.27",
        "35 -0.15",
        "36 -0.15",
        "37 -0.14",
        "38 -0.3",
        "39 -0.15",
        "4 -0.57",
        "40 -0.15",
        "41 -0.15",
        "42 -0.15",
        "43 -0.15",
        "44 -0.15",
        "45 -0.15",
        "5 -0.57",
        "6 -0.66",
        "62 0.37",
        "67 0.4",
        "7 -0.66",
        "77 0.15",
        "78 0.15",
        "79 0.27",
        "8 -0.81",
        "80 0.15",
        "81 0.15",
        "82 0.15",
        "83 0.15",
        "84 0.15",
        "85 0.15",
        "86 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 { 82, 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 {
        "19",
        "1 1 acceptor",
        "1 10 cation",
        "1 10 donor",
        "1 2 acceptor",
        "1 2 donor",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 8 cation",
        "1 9 donor",
        "3 24 32 33 hydrophobe",
        "5 1 6 12 13 19 rings",
        "5 10 30 31 35 38 rings",
        "5 7 11 14 18 20 rings",
        "6 16 17 26 27 30 31 rings",
        "6 27 30 35 36 39 40 rings",
        "6 37 41 42 43 44 45 rings",
        "6 6 7 11 12 15 23 rings",
        "6 8 16 17 21 22 25 rings"
      }
    }
  },
  count {
    heavy-atom 45,
    atom-chiral 7,
    atom-chiral-def 7,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 2
  }
}