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          "3 -0.04",
          "30 0.14",
          "32 0.28",
          "33 0.28",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 0.28",
          "4 -0.57",
          "40 0.28",
          "5 0.2",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 0.28",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "7 0.32",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.04",
          "9 -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 { 102, 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 {
          "10",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 4 cation",
          "3 5 13 14 hydrophobe",
          "3 6 15 16 hydrophobe",
          "5 3 5 7 9 11 rings",
          "5 4 6 8 10 12 rings",
          "6 10 12 22 24 35 37 rings",
          "6 25 26 29 30 31 38 rings",
          "6 9 11 21 23 34 36 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 3,
      bond-chiral-def 0,
      bond-chiral-undef 3,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}