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          "22 -0.15",
          "23 0.08",
          "24 0.27",
          "25 0.27",
          "26 0.27",
          "27 0.27",
          "28 0.27",
          "3 -0.73",
          "31 0.28",
          "4 -0.55",
          "47 0.37",
          "48 0.37",
          "49 0.15",
          "5 -0.81",
          "50 0.15",
          "51 0.15",
          "52 0.15",
          "6 -0.9",
          "65 0.36",
          "7 0.3"
        }
      },
      {
        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 { 124, 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 1 acceptor",
          "1 2 acceptor",
          "1 3 donor",
          "1 4 donor",
          "1 5 cation",
          "1 6 cation",
          "1 6 donor",
          "6 18 19 20 21 22 23 rings",
          "6 5 6 24 25 27 28 rings",
          "6 7 8 10 11 13 15 rings",
          "6 7 8 9 11 12 14 rings",
          "6 7 9 10 12 13 16 rings",
          "6 8 9 10 14 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 31,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}