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          "34 0.08",
          "35 0.08",
          "36 0.06",
          "37 -0.15",
          "38 0.28",
          "39 -0.04",
          "4 -0.36",
          "40 0.11",
          "41 0.18",
          "42 0.18",
          "43 0.28",
          "44 0.28",
          "5 -0.36",
          "6 -0.02",
          "60 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.4",
          "67 0.37",
          "68 0.15",
          "69 0.15",
          "7 -0.81",
          "70 0.15",
          "8 -0.66",
          "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 { 106, 10, -1 }
      },
      {
        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 {
          "16",
          "1 1 acceptor",
          "1 1 donor",
          "1 10 donor",
          "1 11 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 cation",
          "1 9 cation",
          "5 6 11 36 39 40 rings",
          "5 9 14 17 21 22 rings",
          "6 21 22 25 27 30 31 rings",
          "6 29 32 33 34 35 37 rings",
          "6 7 12 13 14 17 18 rings",
          "6 8 12 15 16 19 20 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      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 2
    }
  }
}