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          "49 0.15",
          "5 0.51",
          "50 0.15",
          "51 0.15",
          "52 0.15",
          "53 0.15",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 0.14",
          "7 -0.14",
          "8 -0.14"
        }
      },
      {
        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 { 6, 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 {
          "9",
          "1 1 donor",
          "1 4 acceptor",
          "3 1 2 10 cation",
          "3 2 3 12 cation",
          "3 6 13 14 hydrophobe",
          "6 2 3 10 12 18 25 rings",
          "6 4 26 28 29 30 31 rings",
          "6 7 9 15 19 23 24 rings",
          "6 8 16 17 20 21 22 rings"
        }
      }
    },
    count {
      heavy-atom 32,
      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 3
    }
  }
}