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          "63 0.37",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.55",
          "70 0.15",
          "71 0.15",
          "72 0.37",
          "8 -0.73",
          "9 -0.33"
        }
      },
      {
        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 { 14, 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 {
          "13",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 4 cation",
          "1 4 donor",
          "1 6 donor",
          "1 7 donor",
          "1 8 donor",
          "3 3 5 12 cation",
          "5 3 5 9 11 12 rings",
          "6 14 20 21 25 26 27 rings",
          "6 23 29 30 32 33 34 rings",
          "6 3 12 13 16 17 19 rings",
          "6 31 35 36 37 38 40 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      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 6
    }
  }
}