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          "26 0.54",
          "27 0.09",
          "28 0.08",
          "29 -0.15",
          "3 -0.36",
          "30 -0.15",
          "31 0.12",
          "32 0.3",
          "33 -0.15",
          "34 0.78",
          "35 0.69",
          "36 0.42",
          "37 0.3",
          "38 -0.29",
          "4 -0.57",
          "41 -0.3",
          "5 -0.43",
          "6 -0.57",
          "7 -0.57",
          "72 0.15",
          "73 0.15",
          "77 0.15",
          "78 0.37",
          "8 -0.66",
          "81 0.37",
          "83 0.15",
          "9 -0.66",
          "90 0.15",
          "91 0.15"
        }
      },
      {
        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 { 16, 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 {
          "10",
          "1 10 donor",
          "1 11 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 41 hydrophobe",
          "1 6 acceptor",
          "1 7 acceptor",
          "3 37 39 40 hydrophobe",
          "4 12 18 19 20 hydrophobe",
          "6 27 28 29 30 31 33 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      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 3
    }
  }
}