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          "3 -0.68",
          "31 0.28",
          "32 0.28",
          "33 -0.15",
          "34 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 0.09",
          "39 -0.15",
          "4 -0.56",
          "40 -0.15",
          "41 0.54",
          "42 0.3",
          "43 0.3",
          "49 0.15",
          "5 -0.57",
          "6 -0.57",
          "61 0.15",
          "62 0.15",
          "67 0.4",
          "7 -0.6",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "8 -0.62",
          "9 -0.66"
        }
      },
      {
        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 { 118, 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 {
          "12",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 8 acceptor",
          "4 16 21 22 23 hydrophobe",
          "5 7 11 12 13 14 rings",
          "6 24 26 27 30 33 34 rings",
          "6 35 36 37 38 39 40 rings",
          "6 4 9 28 29 31 32 rings",
          "6 8 12 14 17 18 20 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}