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          "57 0.37",
          "58 0.15",
          "59 0.15",
          "6 -0.28",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.4",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.57",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "8 -0.36",
          "9 -0.73"
        }
      },
      {
        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 { 14, 10, 0 }
      },
      {
        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 {
          "15",
          "1 10 donor",
          "1 17 hydrophobe",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 donor",
          "3 10 12 24 cation",
          "3 11 12 36 cation",
          "5 6 23 27 29 32 rings",
          "6 11 12 18 22 24 36 rings",
          "6 18 19 21 22 25 26 rings",
          "6 31 33 34 35 37 38 rings",
          "6 40 41 42 43 44 45 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 0,
      bond-chiral-undef 1,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}