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          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "8 -0.66",
          "9 -0.81"
        }
      },
      {
        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 { 98, 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 {
          "11",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 7 acceptor",
          "1 9 cation",
          "4 15 20 21 22 hydrophobe",
          "5 6 10 11 12 13 rings",
          "6 23 29 30 32 33 34 rings",
          "6 35 36 37 38 39 40 rings",
          "6 7 11 13 16 17 19 rings",
          "6 8 9 25 26 27 28 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 2,
      atom-chiral-def 1,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}