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          "24 -0.15",
          "25 -0.15",
          "26 -0.15",
          "27 -0.14",
          "28 -0.15",
          "29 -0.15",
          "3 -0.68",
          "30 -0.15",
          "31 0.14",
          "32 -0.14",
          "33 0.28",
          "34 0.42",
          "36 -0.3",
          "4 -0.68",
          "44 0.1",
          "45 0.1",
          "46 0.1",
          "47 0.1",
          "5 -0.99",
          "62 0.15",
          "63 0.4",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.4",
          "79 0.4",
          "8 -0.07",
          "9 0.14"
        }
      },
      {
        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 { 86, 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 {
          "10",
          "1 2 acceptor",
          "1 21 hydrophobe",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "5 6 7 9 12 15 rings",
          "6 22 24 25 28 29 30 rings",
          "6 27 31 32 33 34 35 rings",
          "6 6 9 16 18 19 20 rings"
        }
      }
    },
    count {
      heavy-atom 36,
      atom-chiral 6,
      atom-chiral-def 6,
      atom-chiral-undef 0,
      bond-chiral 2,
      bond-chiral-def 2,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}