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          "7 -0.81",
          "70 0.15",
          "74 0.15",
          "75 0.15",
          "8 0.05",
          "9 -0.55"
        }
      },
      {
        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 { 86, 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 {
          "13",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 cation",
          "1 8 cation",
          "1 9 donor",
          "5 8 11 15 19 20 rings",
          "6 19 20 24 26 28 29 rings",
          "6 27 30 31 33 34 35 rings",
          "6 32 36 37 39 40 41 rings",
          "6 6 10 11 14 15 16 rings",
          "6 7 10 12 13 17 18 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}