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          "32 -0.14",
          "33 -0.14",
          "34 0.3",
          "35 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.34",
          "40 -0.15",
          "41 0.14",
          "42 -0.15",
          "43 -0.14",
          "44 -0.14",
          "45 0.19",
          "46 -0.15",
          "47 1.16",
          "48 0.48",
          "5 -0.34",
          "6 -0.68",
          "63 0.15",
          "67 0.4",
          "68 0.15",
          "7 -0.57",
          "72 0.15",
          "79 0.15",
          "8 -0.57",
          "80 0.15",
          "81 0.15",
          "85 0.15",
          "86 0.15",
          "9 -0.81"
        }
      },
      {
        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 { 116, 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 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 cation",
          "3 11 12 23 cation",
          "3 30 36 37 hydrophobe",
          "6 12 23 25 26 27 28 rings",
          "6 29 32 35 40 42 45 rings",
          "6 33 38 39 43 44 46 rings",
          "6 9 10 14 15 16 17 rings",
          "6 9 11 14 18 19 20 rings"
        }
      }
    },
    count {
      heavy-atom 48,
      atom-chiral 2,
      atom-chiral-def 1,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}