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          "22 -0.15",
          "24 -0.24",
          "25 -0.15",
          "26 -0.14",
          "27 -0.14",
          "28 0.08",
          "29 0.71",
          "3 -0.57",
          "30 -0.15",
          "31 -0.14",
          "32 0.32",
          "33 -0.15",
          "34 0.08",
          "35 -0.15",
          "36 0.14",
          "37 0.14",
          "38 -0.14",
          "39 0.14",
          "4 -0.36",
          "40 0.66",
          "41 0.14",
          "42 0.28",
          "43 0.28",
          "5 -0.65",
          "59 0.37",
          "6 -0.57",
          "60 0.15",
          "61 0.15",
          "64 0.15",
          "65 0.15",
          "7 -0.57",
          "8 0.05",
          "81 0.5",
          "9 -0.49"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 122, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "13",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 8 cation",
          "1 9 donor",
          "3 5 6 40 anion",
          "5 1 7 18 19 20 rings",
          "5 8 22 23 24 25 rings",
          "6 10 11 12 13 14 15 rings",
          "6 21 28 30 34 35 38 rings",
          "6 22 23 26 27 31 33 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      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
    }
  }
}