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        "2 -0.43",
        "20 -0.29",
        "21 -0.29",
        "22 0.57",
        "23 -0.14",
        "24 -0.14",
        "25 0.44",
        "26 0.3",
        "27 -0.15",
        "28 -0.15",
        "29 -0.15",
        "3 -0.57",
        "30 -0.15",
        "31 -0.14",
        "32 0.28",
        "33 -0.15",
        "34 -0.15",
        "35 -0.15",
        "36 -0.15",
        "37 0.19",
        "38 -0.15",
        "39 -0.15",
        "4 -0.57",
        "40 -0.15",
        "41 -0.15",
        "42 -0.15",
        "43 -0.15",
        "5 -0.57",
        "59 0.15",
        "6 -0.68",
        "60 0.15",
        "61 0.37",
        "66 0.15",
        "67 0.15",
        "68 0.15",
        "69 0.15",
        "7 -0.73",
        "72 0.15",
        "73 0.15",
        "74 0.15",
        "75 0.15",
        "76 0.15",
        "77 0.15",
        "78 0.15",
        "79 0.15",
        "8 -0.66",
        "80 0.15",
        "81 0.4",
        "82 0.15",
        "9 0.06"
      }
    },
    {
      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 { 118, 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 6 donor",
        "1 7 donor",
        "6 23 27 28 33 34 37 rings",
        "6 24 29 30 35 36 40 rings",
        "6 31 38 39 41 42 43 rings"
      }
    }
  },
  count {
    heavy-atom 43,
    atom-chiral 3,
    atom-chiral-def 3,
    atom-chiral-undef 0,
    bond-chiral 1,
    bond-chiral-def 1,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 6
  }
}