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          "40 0.14",
          "41 0.14",
          "45 0.28",
          "46 0.28",
          "5 -0.57",
          "6 -0.36",
          "62 0.37",
          "63 0.15",
          "64 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.57",
          "8 -0.57",
          "9 -0.49"
        }
      },
      {
        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 { 142, 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 {
          "12",
          "1 10 cation",
          "1 3 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 9 donor",
          "4 39 42 43 44 hydrophobe",
          "5 10 23 24 27 29 rings",
          "5 2 8 19 20 21 rings",
          "6 11 12 13 14 15 16 rings",
          "6 22 25 26 33 34 37 rings",
          "6 23 27 31 32 35 36 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      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
    }
  }
}