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          "1 -0.12",
          "10 0.05",
          "11 -0.66",
          "12 -0.41",
          "13 0.3",
          "16 0.27",
          "17 0.27",
          "18 0.27",
          "2 -0.08",
          "21 0.71",
          "22 -0.24",
          "23 -0.15",
          "24 -0.15",
          "26 0.44",
          "27 0.3",
          "29 0.06",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 0.57",
          "33 0.3",
          "34 0.09",
          "35 0.11",
          "36 -0.15",
          "37 0.28",
          "38 0.63",
          "39 -0.15",
          "4 -0.43",
          "40 0.14",
          "41 0.04",
          "42 -0.15",
          "43 -0.15",
          "44 0.16",
          "5 -0.57",
          "55 0.37",
          "6 -0.02",
          "62 0.15",
          "7 -0.57",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.81",
          "80 0.15",
          "9 -0.73"
        }
      },
      {
        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 { 14, 10, 0 }
      },
      {
        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 {
          "14",
          "1 10 cation",
          "1 12 acceptor",
          "1 3 acceptor",
          "1 5 acceptor",
          "1 7 acceptor",
          "1 8 cation",
          "1 9 donor",
          "3 18 19 20 hydrophobe",
          "5 10 22 23 24 25 rings",
          "5 11 27 28 29 32 rings",
          "5 2 41 42 43 44 rings",
          "5 6 12 35 39 40 rings",
          "6 23 25 30 31 34 36 rings",
          "6 8 13 14 15 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}