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          "65 0.4",
          "66 0.4",
          "7 -0.68",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.57",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "9 -0.57"
        }
      },
      {
        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 { 118, 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 {
          "14",
          "1 1 acceptor",
          "1 10 acceptor",
          "1 11 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 9 acceptor",
          "3 18 25 26 hydrophobe",
          "6 12 13 16 20 21 22 rings",
          "6 32 35 36 39 40 43 rings",
          "6 34 37 38 41 42 44 rings",
          "8 1 12 13 14 15 17 18 19 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 9,
      atom-chiral-def 8,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}