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          "23 0.57",
          "24 0.41",
          "25 -0.14",
          "27 0.27",
          "28 -0.17",
          "29 -0.29",
          "3 -0.57",
          "30 0.18",
          "31 0.03",
          "32 -0.18",
          "34 -0.15",
          "35 -0.15",
          "36 0.27",
          "37 -0.15",
          "38 -0.3",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "5 -0.57",
          "57 0.4",
          "58 0.37",
          "6 -0.66",
          "66 0.15",
          "69 0.15",
          "7 -0.66",
          "70 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.27",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.73",
          "80 0.15",
          "81 0.15",
          "9 -0.81"
        }
      },
      {
        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 { 8, 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 {
          "19",
          "1 1 acceptor",
          "1 10 cation",
          "1 10 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 26 hydrophobe",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 8 donor",
          "1 9 cation",
          "5 1 6 12 15 19 rings",
          "5 10 32 33 37 38 rings",
          "5 7 11 13 16 17 rings",
          "6 24 28 30 31 32 33 rings",
          "6 25 34 35 40 41 44 rings",
          "6 31 33 37 39 42 43 rings",
          "6 6 7 11 12 14 18 rings",
          "6 9 22 24 27 28 29 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 6,
      atom-chiral-def 6,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}