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        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "53",
        "1 -0.18",
        "10 0.35",
        "11 -0.14",
        "12 0.57",
        "13 0.12",
        "14 -0.14",
        "16 0.44",
        "17 -0.15",
        "18 -0.15",
        "19 -0.15",
        "2 -0.18",
        "20 0.18",
        "21 -0.14",
        "22 0.18",
        "23 -0.15",
        "24 0.09",
        "25 -0.15",
        "26 -0.15",
        "27 0.08",
        "28 -0.15",
        "29 0.54",
        "3 -0.57",
        "30 -0.15",
        "31 -0.15",
        "32 0.08",
        "33 0.44",
        "34 0.3",
        "36 0.17",
        "37 0.28",
        "38 -0.15",
        "39 0.28",
        "4 -0.36",
        "40 -0.15",
        "41 0.16",
        "42 -0.15",
        "48 0.15",
        "49 0.15",
        "5 -0.57",
        "50 0.15",
        "51 0.15",
        "52 0.15",
        "53 0.15",
        "54 0.15",
        "55 0.15",
        "56 0.15",
        "6 -0.36",
        "67 0.15",
        "7 -0.48",
        "71 0.15",
        "72 0.15",
        "73 0.15",
        "8 -0.66",
        "9 -0.62"
      }
    },
    {
      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 { 104, 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 {
        "10",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 6 acceptor",
        "1 9 acceptor",
        "5 7 10 11 12 13 rings",
        "6 11 13 17 18 22 23 rings",
        "6 14 19 20 24 25 26 rings",
        "6 21 27 28 30 31 32 rings",
        "6 9 36 38 40 41 42 rings"
      }
    }
  },
  count {
    heavy-atom 42,
    atom-chiral 1,
    atom-chiral-def 0,
    atom-chiral-undef 1,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}