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          "10 0.06",
          "11 0.06",
          "12 0.06",
          "13 0.28",
          "16 0.28",
          "17 0.33",
          "18 0.57",
          "19 0.06",
          "2 -0.68",
          "20 0.57",
          "21 0.12",
          "22 -0.15",
          "23 -0.15",
          "24 0.08",
          "25 -0.15",
          "26 0.42",
          "27 -0.15",
          "28 -0.29",
          "29 -0.28",
          "3 -0.57",
          "30 0.08",
          "31 0.14",
          "32 0.14",
          "33 -0.15",
          "34 -0.15",
          "35 0.14",
          "36 -0.15",
          "37 -0.15",
          "38 -0.29",
          "39 -0.15",
          "4 -0.57",
          "40 -0.28",
          "41 0.14",
          "42 0.14",
          "5 -0.22",
          "55 0.4",
          "56 0.4",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.17",
          "62 0.15",
          "63 0.15",
          "69 0.15",
          "7 -0.24",
          "70 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "8 -0.51"
        }
      },
      {
        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 { 102, 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 {
          "16",
          "1 1 acceptor",
          "1 1 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 32 hydrophobe",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 8 acceptor",
          "3 40 41 42 hydrophobe",
          "4 29 31 35 38 hydrophobe",
          "5 7 10 12 18 20 rings",
          "6 21 22 23 24 25 27 rings",
          "6 30 33 34 36 37 39 rings",
          "6 9 10 11 12 14 15 rings",
          "6 9 11 13 16 17 19 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      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 4
    }
  }
}