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          "1 -0.56",
          "10 0.38",
          "11 0.2",
          "12 -0.2",
          "13 -0.2",
          "15 -0.03",
          "16 0.06",
          "17 0.42",
          "18 -0.29",
          "19 0.66",
          "2 -0.43",
          "20 0.57",
          "22 0.06",
          "23 0.44",
          "26 0.57",
          "27 -0.14",
          "28 0.28",
          "3 -0.57",
          "30 -0.15",
          "32 0.48",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.04",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.04",
          "42 -0.15",
          "43 0.18",
          "44 0.1",
          "46 0.1",
          "47 0.1",
          "48 0.1",
          "49 0.1",
          "5 -0.57",
          "54 0.15",
          "6 -0.28",
          "69 0.37",
          "7 -0.47",
          "70 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.73",
          "80 0.15",
          "9 -0.19"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "2.3.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value fval { 128, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "2.0.4",
          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "12",
          "1 1 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 8 donor",
          "3 21 24 25 hydrophobe",
          "5 6 38 40 41 42 rings",
          "6 1 10 11 15 17 18 rings",
          "6 27 29 30 31 33 35 rings",
          "6 29 31 34 36 37 39 rings",
          "6 7 11 14 15 16 20 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}