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          "37 0.28",
          "4 -0.36",
          "5 -0.66",
          "6 -0.81",
          "60 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.4",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 0.05",
          "70 0.15",
          "8 0.18",
          "9 0.3"
        }
      },
      {
        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 { 84, 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 {
          "12",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 6 cation",
          "1 7 cation",
          "4 18 21 22 24 rings",
          "5 7 10 14 17 20 rings",
          "6 17 20 26 28 29 31 rings",
          "6 30 32 33 34 35 36 rings",
          "6 5 8 9 10 13 14 rings",
          "6 6 8 11 12 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}