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          "31 0.14",
          "32 0.71",
          "33 0.28",
          "47 0.15",
          "51 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "6 -0.14",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "69 0.15",
          "7 0.14",
          "70 0.15",
          "8 -0.28"
        }
      },
      {
        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 {
          "7",
          "1 15 hydrophobe",
          "1 2 acceptor",
          "1 20 hydrophobe",
          "1 27 hydrophobe",
          "1 31 hydrophobe",
          "3 3 9 10 hydrophobe",
          "6 3 4 5 6 7 8 rings"
        }
      }
    },
    count {
      heavy-atom 34,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 8,
      bond-chiral-def 8,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}