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        "17 0.28",
        "18 0.27",
        "19 0.27",
        "2 -0.5",
        "23 0.4",
        "27 0.27",
        "29 0.3",
        "3 -0.68",
        "30 0.54",
        "31 -0.15",
        "32 -0.15",
        "33 0.03",
        "34 -0.15",
        "35 -0.15",
        "36 -0.18",
        "37 -0.29",
        "38 0.14",
        "4 -0.57",
        "44 0.15",
        "5 -0.6",
        "6 -0.81",
        "7 -0.62",
        "70 0.37",
        "71 0.15",
        "72 0.15",
        "73 0.4",
        "74 0.15",
        "75 0.15",
        "76 0.15",
        "77 0.15",
        "8 -0.73",
        "9 0.41"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.05.21"
      },
      value fval { 128, 10, -1 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
        "12",
        "1 3 acceptor",
        "1 3 donor",
        "1 38 hydrophobe",
        "1 4 acceptor",
        "1 6 cation",
        "1 7 acceptor",
        "1 8 donor",
        "4 14 24 25 26 hydrophobe",
        "5 5 9 10 11 12 rings",
        "6 28 31 32 33 34 35 rings",
        "6 6 18 19 20 21 22 rings",
        "6 7 10 12 15 16 23 rings"
      }
    }
  },
  count {
    heavy-atom 38,
    atom-chiral 2,
    atom-chiral-def 2,
    atom-chiral-undef 0,
    bond-chiral 1,
    bond-chiral-def 1,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 2
  }
}