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        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "32",
        "1 -0.18",
        "10 0.27",
        "11 0.27",
        "12 -0.14",
        "14 -0.15",
        "15 -0.15",
        "16 0.06",
        "17 -0.15",
        "18 -0.15",
        "19 0.42",
        "2 -0.19",
        "20 0.18",
        "21 0.09",
        "22 -0.15",
        "23 -0.15",
        "24 -0.15",
        "25 -0.15",
        "26 0.19",
        "3 -0.68",
        "39 0.4",
        "4 -0.57",
        "40 0.15",
        "41 0.15",
        "44 0.15",
        "45 0.15",
        "46 0.15",
        "47 0.15",
        "48 0.15",
        "49 0.15",
        "5 -0.81",
        "6 0.42",
        "9 0.27"
      }
    },
    {
      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 { 72, 10, -1 }
    },
    {
      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 {
        "7",
        "1 3 acceptor",
        "1 3 donor",
        "1 4 acceptor",
        "1 5 cation",
        "6 12 14 15 17 18 20 rings",
        "6 21 22 23 24 25 26 rings",
        "6 5 6 7 8 9 10 rings"
      }
    }
  },
  count {
    heavy-atom 26,
    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 2
  }
}