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          "11 0.27",
          "12 0.3",
          "14 -0.24",
          "15 0.71",
          "16 -0.05",
          "17 0.42",
          "18 0.05",
          "2 -0.56",
          "20 -0.14",
          "21 -0.15",
          "22 0.28",
          "24 0.41",
          "25 0.27",
          "26 0.26",
          "27 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 -0.14",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.68",
          "40 0.19",
          "5 -0.66",
          "6 -0.81",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 0.05",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.4",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "9 0.28"
        }
      },
      {
        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 { 72, 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 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 6 cation",
          "1 7 cation",
          "5 7 14 16 19 21 rings",
          "6 18 20 27 29 33 35 rings",
          "6 19 21 28 30 32 34 rings",
          "6 31 36 37 38 39 40 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 3,
      atom-chiral-def 0,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}