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          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "45",
          "1 -0.56",
          "10 -0.81",
          "11 0.03",
          "15 0.06",
          "16 0.45",
          "17 0.27",
          "19 0.28",
          "2 -0.43",
          "20 0.28",
          "21 -0.33",
          "22 0.27",
          "23 -0.18",
          "24 0.18",
          "25 0.66",
          "27 -0.15",
          "28 0.28",
          "29 -0.15",
          "3 -0.43",
          "30 0.63",
          "31 -0.15",
          "32 -0.15",
          "33 0.08",
          "34 0.28",
          "35 0.09",
          "36 -0.15",
          "37 -0.15",
          "38 0.08",
          "39 0.08",
          "4 -0.57",
          "40 0.28",
          "41 0.08",
          "42 0.28",
          "43 0.28",
          "44 0.28",
          "5 -0.57",
          "6 -0.36",
          "61 0.27",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "7 -0.36",
          "71 0.15",
          "72 0.15",
          "8 -0.36",
          "9 -0.36"
        }
      },
      {
        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 { 116, 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 {
          "16",
          "1 1 acceptor",
          "1 10 cation",
          "1 11 cation",
          "1 11 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "5 11 21 23 26 27 rings",
          "6 10 12 13 14 16 17 rings",
          "6 10 16 21 22 23 24 rings",
          "6 12 13 15 18 19 20 rings",
          "6 26 27 29 31 32 33 rings",
          "6 35 36 37 38 39 41 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 6,
      atom-chiral-def 6,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}