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          "16 0.27",
          "17 0.38",
          "18 0.28",
          "19 0.56",
          "2 -0.56",
          "20 0.28",
          "21 0.28",
          "22 0.42",
          "23 0.42",
          "24 0.28",
          "25 -0.14",
          "26 -0.1",
          "27 0.06",
          "28 -0.29",
          "3 -0.56",
          "30 -0.1",
          "31 -0.06",
          "32 -0.09",
          "33 0.87",
          "34 0.27",
          "35 -0.06",
          "36 0.63",
          "37 0.09",
          "39 0.08",
          "4 -0.43",
          "41 -0.15",
          "42 -0.15",
          "43 -0.14",
          "44 -0.15",
          "45 0.08",
          "46 -0.15",
          "47 0.14",
          "48 0.28",
          "49 0.1",
          "5 -0.68",
          "6 -0.68",
          "60 0.36",
          "61 0.15",
          "65 0.4",
          "66 0.15",
          "67 0.4",
          "7 -0.43",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "78 0.45",
          "8 -0.43",
          "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 { 106, 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 {
          "17",
          "1 1 acceptor",
          "1 10 acceptor",
          "1 11 donor",
          "1 12 acceptor",
          "1 13 cation",
          "1 13 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 6 donor",
          "5 22 23 25 27 28 rings",
          "5 4 7 17 24 33 rings",
          "6 2 16 18 19 20 21 rings",
          "6 37 38 39 40 42 44 rings",
          "6 38 40 41 43 45 46 rings"
        }
      }
    },
    count {
      heavy-atom 48,
      atom-chiral 10,
      atom-chiral-def 10,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}