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        "21 -0.08",
        "22 -0.08",
        "23 -0.15",
        "24 -0.15",
        "25 -0.15",
        "26 -0.15",
        "27 -0.15",
        "28 -0.15",
        "3 -0.08",
        "4 0.11",
        "5 0.52",
        "56 0.15",
        "57 0.15",
        "58 0.15",
        "59 0.15",
        "6 0.52",
        "60 0.15",
        "61 0.15",
        "7 0.52",
        "8 -0.23",
        "9 -0.23"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.01.18"
      },
      value fval { 6, 10, 0 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "3",
        "5 1 8 11 23 26 rings",
        "5 2 9 12 24 27 rings",
        "5 3 10 13 25 28 rings"
      }
    }
  },
  count {
    heavy-atom 28,
    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 1
  }
}