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          "17 0.28",
          "18 -0.3",
          "19 -0.29",
          "2 -0.43",
          "20 0.58",
          "21 0.14",
          "22 -0.14",
          "23 0.49",
          "24 0.71",
          "25 0.2",
          "26 0.62",
          "27 -0.28",
          "28 -0.14",
          "29 -0.15",
          "3 -0.68",
          "30 -0.14",
          "31 -0.15",
          "32 0.14",
          "33 -0.15",
          "34 -0.15",
          "35 -0.29",
          "36 0.14",
          "4 -0.57",
          "46 0.15",
          "5 -0.57",
          "50 0.15",
          "51 0.15",
          "52 0.15",
          "57 0.15",
          "58 0.37",
          "59 0.4",
          "6 -0.57",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "69 0.15",
          "7 -0.73",
          "70 0.15",
          "71 0.15",
          "8 0.28",
          "9 0.42"
        }
      },
      {
        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 { 76, 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 {
          "9",
          "1 1 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 37 hydrophobe",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 donor",
          "6 1 8 9 10 11 12 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 6,
      bond-chiral-def 6,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 145
    }
  }
}