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          "30 0.63",
          "31 -0.14",
          "32 -0.14",
          "33 0.09",
          "34 -0.15",
          "35 -0.15",
          "36 1.16",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.34",
          "40 -0.15",
          "41 0.08",
          "42 -0.15",
          "43 0.08",
          "44 0.28",
          "45 0.28",
          "5 -0.65",
          "6 -0.65",
          "65 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.43",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "8 -0.57",
          "9 -0.36"
        }
      },
      {
        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 { 15, 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 {
          "12",
          "1 10 acceptor",
          "1 11 cation",
          "1 13 cation",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "5 1 12 17 18 19 rings",
          "5 14 15 16 26 28 rings",
          "6 11 13 20 21 22 23 rings",
          "6 31 32 34 35 37 40 rings",
          "6 33 38 39 41 42 43 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      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
    }
  }
}