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          "1 -0.57",
          "11 -0.15",
          "12 0.26",
          "13 -0.14",
          "14 -0.14",
          "15 0.27",
          "16 -0.15",
          "17 0.71",
          "18 -0.15",
          "19 -0.15",
          "2 -0.36",
          "20 -0.15",
          "21 -0.15",
          "22 -0.15",
          "23 -0.15",
          "24 -0.15",
          "25 0.3",
          "26 -0.15",
          "27 -0.15",
          "28 0.08",
          "29 -0.15",
          "3 0.05",
          "30 -0.15",
          "31 0.27",
          "32 0.27",
          "33 -0.15",
          "36 0.28",
          "37 0.27",
          "38 0.27",
          "39 0.27",
          "4 -0.81",
          "45 0.15",
          "46 0.15",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.73",
          "50 0.15",
          "51 0.37",
          "52 0.15",
          "53 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "6 -0.81",
          "65 0.15",
          "7 -0.18",
          "8 0.47",
          "9 -0.24"
        }
      },
      {
        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 { 13, 10, 0 }
      },
      {
        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 {
          "11",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 cation",
          "1 4 cation",
          "1 5 donor",
          "1 6 cation",
          "3 25 34 35 hydrophobe",
          "5 3 7 9 10 11 rings",
          "6 10 11 16 18 19 20 rings",
          "6 13 21 22 26 27 28 rings",
          "6 14 23 24 29 30 33 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}