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          "3 -0.43",
          "30 0.54",
          "31 -0.14",
          "32 -0.29",
          "33 0.51",
          "34 -0.15",
          "35 0.62",
          "36 0.78",
          "37 0.28",
          "38 -0.12",
          "39 -0.15",
          "4 -0.56",
          "40 -0.29",
          "41 0.14",
          "42 -0.3",
          "5 -0.57",
          "54 0.15",
          "58 0.4",
          "6 -0.57",
          "67 0.4",
          "68 0.15",
          "69 0.15",
          "7 -0.57",
          "70 0.37",
          "73 0.15",
          "77 0.15",
          "78 0.15",
          "8 -0.57",
          "82 0.37",
          "83 0.37",
          "84 0.15",
          "85 0.15",
          "9 -0.87"
        }
      },
      {
        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 { 88, 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 donor",
          "1 11 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 4 acceptor",
          "1 42 hydrophobe",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 cation",
          "1 9 donor",
          "6 20 24 25 29 30 31 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 6,
      atom-chiral-def 6,
      atom-chiral-undef 0,
      bond-chiral 3,
      bond-chiral-def 2,
      bond-chiral-undef 1,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 824
    }
  }
}