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          "20 0.57",
          "21 -0.29",
          "22 0.66",
          "23 -0.14",
          "24 -0.14",
          "25 0.44",
          "26 0.3",
          "27 -0.15",
          "28 -0.15",
          "29 -0.14",
          "3 -0.57",
          "30 0.28",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 0.19",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "5 -0.57",
          "51 0.37",
          "6 -0.68",
          "60 0.15",
          "61 0.15",
          "66 0.15",
          "67 0.15",
          "7 -0.73",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.66",
          "80 0.15",
          "81 0.4",
          "82 0.15",
          "9 0.06"
        }
      },
      {
        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 { 126, 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 {
          "9",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 donor",
          "6 23 27 28 33 34 37 rings",
          "6 24 31 32 35 36 40 rings",
          "6 29 38 39 41 42 43 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}