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        "31 -0.15",
        "32 -0.15",
        "33 0.09",
        "34 -0.15",
        "35 0.11",
        "36 0.63",
        "37 -0.15",
        "38 0.14",
        "39 0.04",
        "4 -0.57",
        "40 -0.15",
        "41 -0.15",
        "42 0.16",
        "5 -0.43",
        "53 0.37",
        "6 -0.57",
        "69 0.15",
        "7 -0.02",
        "72 0.15",
        "73 0.15",
        "74 0.15",
        "75 0.15",
        "76 0.15",
        "77 0.15",
        "8 -0.81",
        "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 { 132, 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 {
        "14",
        "1 10 cation",
        "1 11 acceptor",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 6 acceptor",
        "1 8 cation",
        "1 9 donor",
        "3 17 18 19 hydrophobe",
        "5 10 22 25 28 29 rings",
        "5 2 39 40 41 42 rings",
        "5 3 21 23 24 26 rings",
        "5 7 11 35 37 38 rings",
        "6 25 29 31 32 33 34 rings",
        "6 8 12 13 14 15 16 rings"
      }
    }
  },
  count {
    heavy-atom 42,
    atom-chiral 1,
    atom-chiral-def 0,
    atom-chiral-undef 1,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 2
  }
}