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          "3 -0.66",
          "31 -0.15",
          "32 0.16",
          "33 -0.15",
          "34 -0.15",
          "35 -0.29",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.3",
          "4 -0.66",
          "5 -0.62",
          "50 0.15",
          "57 0.15",
          "6 0.03",
          "62 0.15",
          "63 0.15",
          "66 0.27",
          "69 0.15",
          "7 0.12",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "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 { 88, 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 1 acceptor",
          "1 2 acceptor",
          "1 25 hydrophobe",
          "1 39 hydrophobe",
          "1 5 acceptor",
          "1 6 cation",
          "1 6 donor",
          "4 24 27 29 35 hydrophobe",
          "5 3 7 9 10 11 rings",
          "5 6 26 28 30 31 rings",
          "6 30 31 34 36 37 38 rings",
          "6 4 7 8 12 13 14 rings",
          "6 5 21 26 28 32 33 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}