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          "20 0.57",
          "21 0.3",
          "24 0.3",
          "25 0.57",
          "26 0.54",
          "27 0.09",
          "28 0.12",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 0.12",
          "36 -0.14",
          "37 -0.15",
          "38 -0.15",
          "39 0.2",
          "4 -0.57",
          "40 0.57",
          "41 0.1",
          "42 0.1",
          "43 0.1",
          "44 0.1",
          "45 0.1",
          "5 -0.66",
          "6 -0.51",
          "69 0.37",
          "7 -0.55",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "8 -0.55",
          "80 0.37",
          "9 0.05"
        }
      },
      {
        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 3 acceptor",
          "1 4 acceptor",
          "1 7 donor",
          "1 8 donor",
          "6 12 13 14 16 17 19 rings",
          "6 27 29 30 31 32 35 rings",
          "6 28 33 34 36 37 38 rings",
          "6 5 15 18 21 22 23 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      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 8
    }
  }
}