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          "12 -0.36",
          "13 -0.36",
          "14 -0.35",
          "15 -0.77",
          "16 -0.77",
          "17 -0.7",
          "19 0.06",
          "2 -0.56",
          "20 0.42",
          "21 0.29",
          "22 -0.14",
          "23 -0.14",
          "24 0.28",
          "25 0.66",
          "26 0.56",
          "27 -0.14",
          "28 0.28",
          "29 0.28",
          "3 -0.43",
          "30 0.28",
          "31 0.28",
          "32 -0.15",
          "33 -0.15",
          "34 0.08",
          "35 0.08",
          "36 0.28",
          "37 -0.15",
          "38 -0.15",
          "39 0.56",
          "4 -0.56",
          "40 0.08",
          "41 0.08",
          "42 0.56",
          "43 0.08",
          "45 0.28",
          "46 0.28",
          "5 -0.56",
          "58 0.15",
          "59 0.15",
          "6 -0.57",
          "62 0.15",
          "63 0.15",
          "65 0.4",
          "66 0.4",
          "7 -0.68",
          "78 0.5",
          "79 0.5",
          "8 -0.56",
          "9 -0.68"
        }
      },
      {
        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 { 1, 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 {
          "24",
          "1 10 acceptor",
          "1 11 acceptor",
          "1 12 acceptor",
          "1 13 acceptor",
          "1 15 acceptor",
          "1 16 acceptor",
          "1 17 acceptor",
          "1 2 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 9 acceptor",
          "1 9 donor",
          "4 1 15 16 17 anion",
          "5 10 11 34 35 42 rings",
          "5 3 18 19 24 25 rings",
          "6 18 19 20 21 22 23 rings",
          "6 22 23 32 33 34 35 rings",
          "6 27 37 38 40 41 43 rings",
          "6 4 26 28 29 30 31 rings",
          "6 5 8 29 31 36 39 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      atom-chiral 10,
      atom-chiral-def 8,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}