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          name "MMFF94 Partial",
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          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "52",
          "1 -0.18",
          "10 -0.9",
          "11 0.14",
          "14 0.37",
          "15 0.37",
          "16 0.37",
          "17 -0.14",
          "18 -0.15",
          "19 -0.15",
          "2 -0.36",
          "20 0.55",
          "21 0.37",
          "22 0.72",
          "23 -0.15",
          "24 -0.15",
          "25 -0.15",
          "26 0.31",
          "27 0.18",
          "28 0.41",
          "3 -0.36",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 0.08",
          "35 0.08",
          "36 0.18",
          "37 -0.15",
          "38 -0.15",
          "39 0.28",
          "4 -0.79",
          "40 0.28",
          "5 -0.84",
          "51 0.15",
          "52 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "59 0.4",
          "6 -0.85",
          "60 0.4",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.4",
          "66 0.4",
          "67 0.15",
          "68 0.15",
          "7 -0.63",
          "8 -0.62",
          "9 -0.62"
        }
      },
      {
        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 { 92, 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 {
          "11",
          "1 10 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 6 donor",
          "4 4 6 7 20 cation",
          "4 5 8 9 22 cation",
          "6 17 18 19 23 24 25 rings",
          "6 26 29 30 31 34 35 rings",
          "6 27 32 33 36 37 38 rings",
          "6 4 11 12 13 15 16 rings",
          "6 8 9 22 26 28 29 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      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 6
    }
  }
}