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          "13 0.28",
          "14 0.3",
          "15 0.3",
          "16 0.3",
          "18 0.54",
          "19 0.08",
          "2 -0.56",
          "20 0.09",
          "21 0.28",
          "23 0.12",
          "24 -0.15",
          "25 0.3",
          "26 0.78",
          "27 -0.15",
          "28 -0.15",
          "29 0.28",
          "3 -0.57",
          "30 0.42",
          "34 -0.14",
          "35 0.54",
          "36 0.09",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.43",
          "40 -0.15",
          "41 0.08",
          "42 -0.15",
          "43 -0.15",
          "44 0.16",
          "45 0.16",
          "46 0.28",
          "5 -0.57",
          "6 -0.57",
          "62 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.37",
          "7 -0.36",
          "8 -0.66",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "84 0.15",
          "85 0.15",
          "86 0.15",
          "87 0.15",
          "9 -0.66"
        }
      },
      {
        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 { 15, 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 {
          "12",
          "1 1 acceptor",
          "1 10 donor",
          "1 11 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "4 29 31 32 33 hydrophobe",
          "6 11 36 42 43 44 45 rings",
          "6 19 20 23 24 27 28 rings",
          "6 34 37 38 39 40 41 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}