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          "14 0.27",
          "19 0.54",
          "2 -0.57",
          "20 0.09",
          "21 -0.15",
          "22 -0.15",
          "23 0.03",
          "24 -0.15",
          "25 -0.15",
          "26 0.12",
          "27 0.44",
          "28 0.12",
          "29 -0.18",
          "3 -0.57",
          "30 0.62",
          "31 0.1",
          "32 -0.14",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.81",
          "40 -0.15",
          "41 -0.15",
          "5 -0.81",
          "55 0.37",
          "6 -0.73",
          "68 0.15",
          "69 0.15",
          "7 -0.48",
          "70 0.15",
          "71 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 0.27",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "9 0.27"
        }
      },
      {
        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 { 144, 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 {
          "9",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 cation",
          "1 5 cation",
          "1 6 donor",
          "6 1 7 26 28 30 31 rings",
          "6 20 21 22 23 24 25 rings",
          "6 26 31 33 34 35 36 rings",
          "6 32 37 38 39 40 41 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}