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        "36 0.18",
        "37 -0.15",
        "38 -0.15",
        "39 -0.15",
        "4 -0.57",
        "40 -0.15",
        "41 -0.15",
        "42 -0.15",
        "43 -0.15",
        "44 -0.15",
        "5 -0.73",
        "53 0.37",
        "54 0.37",
        "55 0.15",
        "56 0.15",
        "57 0.15",
        "58 0.15",
        "59 0.15",
        "6 -0.73",
        "60 0.15",
        "61 0.15",
        "62 0.15",
        "63 0.15",
        "64 0.15",
        "65 0.15",
        "66 0.15",
        "67 0.15",
        "68 0.15",
        "69 0.15",
        "7 -0.62",
        "70 0.15",
        "71 0.15",
        "72 0.15",
        "8 -0.62"
      }
    },
    {
      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 { 11, 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 {
        "12",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 5 donor",
        "1 6 donor",
        "1 7 acceptor",
        "1 8 acceptor",
        "6 15 19 25 29 31 33 rings",
        "6 16 20 26 30 32 34 rings",
        "6 27 35 37 39 41 43 rings",
        "6 28 36 38 40 42 44 rings",
        "6 7 13 15 19 21 23 rings",
        "6 8 14 16 20 22 24 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 3
  }
}