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          "51",
          "1 -0.36",
          "10 -0.15",
          "13 0.14",
          "14 0.42",
          "15 -0.14",
          "16 -0.18",
          "17 -0.14",
          "18 -0.11",
          "19 0.06",
          "2 -0.57",
          "20 0.57",
          "21 -0.15",
          "22 -0.15",
          "23 0.14",
          "26 -0.15",
          "27 -0.15",
          "28 0.09",
          "29 -0.15",
          "3 -0.43",
          "30 -0.15",
          "31 0.08",
          "32 -0.15",
          "33 -0.15",
          "34 0.66",
          "35 -0.15",
          "36 -0.15",
          "37 -0.29",
          "38 -0.3",
          "39 0.28",
          "4 -0.57",
          "43 0.15",
          "5 0.33",
          "50 0.15",
          "51 0.15",
          "54 0.15",
          "55 0.15",
          "6 -0.33",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 0.18",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "8 -0.2",
          "9 -0.09"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 15, 10, 0 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "10",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 38 hydrophobe",
          "1 4 acceptor",
          "1 5 cation",
          "3 12 24 25 hydrophobe",
          "5 5 6 8 9 10 rings",
          "6 15 17 21 22 26 27 rings",
          "6 28 31 32 33 35 36 rings",
          "6 5 8 16 18 29 30 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}