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          "4 -0.68",
          "5 -0.68",
          "50 0.4",
          "51 0.4",
          "53 0.4",
          "54 0.15",
          "55 0.15",
          "56 0.4",
          "57 0.4",
          "58 0.27",
          "59 0.5",
          "6 -0.77",
          "60 0.5",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "7 -0.77",
          "8 -0.7",
          "9 -0.43"
        }
      },
      {
        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 { 106, 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 {
          "23",
          "1 10 acceptor",
          "1 16 cation",
          "1 16 donor",
          "1 17 cation",
          "1 17 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "3 11 14 23 cation",
          "3 14 15 30 cation",
          "4 1 6 7 8 anion",
          "5 11 12 22 23 24 rings",
          "5 17 29 31 33 34 rings",
          "5 2 18 19 20 21 rings",
          "6 14 15 23 24 28 30 rings",
          "6 31 34 35 36 37 38 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 5,
      atom-chiral-def 2,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}