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          "21 0.71",
          "22 -0.24",
          "23 -0.15",
          "24 -0.15",
          "26 0.44",
          "27 -0.15",
          "28 -0.15",
          "29 0.11",
          "3 -0.57",
          "30 0.09",
          "31 -0.15",
          "32 -0.15",
          "33 0.63",
          "34 0.06",
          "35 0.14",
          "36 0.56",
          "37 0.66",
          "4 -0.02",
          "41 0.04",
          "43 -0.15",
          "44 -0.15",
          "45 0.16",
          "5 -0.43",
          "56 0.37",
          "6 -0.43",
          "63 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.57",
          "8 -0.57",
          "83 0.15",
          "84 0.15",
          "9 -0.81"
        }
      },
      {
        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 { 142, 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 {
          "14",
          "1 10 donor",
          "1 11 cation",
          "1 12 acceptor",
          "1 3 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 cation",
          "3 18 19 20 hydrophobe",
          "4 34 38 39 40 hydrophobe",
          "5 11 22 23 24 25 rings",
          "5 2 41 43 44 45 rings",
          "5 4 12 29 32 35 rings",
          "6 23 25 27 28 30 31 rings",
          "6 9 13 14 15 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      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
    }
  }
}