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          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "42",
          "1 -0.19",
          "10 0.18",
          "11 0.3",
          "12 -0.18",
          "15 0.48",
          "16 -0.33",
          "17 0.3",
          "18 0.3",
          "2 -0.57",
          "20 0.06",
          "21 0.57",
          "22 -0.15",
          "23 0.28",
          "28 -0.15",
          "29 0.26",
          "3 -0.68",
          "30 -0.15",
          "31 0.69",
          "32 -0.15",
          "33 0.08",
          "34 0.12",
          "35 0.28",
          "36 -0.15",
          "37 -0.15",
          "38 0.19",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "5 -0.36",
          "6 -0.66",
          "63 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.4",
          "7 0.05",
          "70 0.37",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "8 -0.66",
          "9 -0.55"
        }
      },
      {
        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 { 96, 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 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 cation",
          "1 9 donor",
          "5 20 24 25 26 27 rings",
          "5 7 12 16 19 22 rings",
          "6 19 22 28 30 32 33 rings",
          "6 34 36 37 38 39 40 rings",
          "6 6 10 11 12 15 16 rings",
          "6 8 10 13 14 17 18 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}