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        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "16",
          "1 -0.36",
          "10 0.14",
          "13 -0.14",
          "14 0.08",
          "2 -0.23",
          "20 -0.14",
          "21 -0.14",
          "23 -0.14",
          "24 0.08",
          "27 0.14",
          "28 0.14",
          "3 -0.57",
          "30 0.14",
          "33 0.66",
          "34 0.06",
          "4 0.28"
        }
      },
      {
        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 { 148, 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 {
          "7",
          "1 1 acceptor",
          "1 18 hydrophobe",
          "1 25 hydrophobe",
          "1 3 acceptor",
          "3 29 31 32 hydrophobe",
          "6 1 4 6 10 13 14 rings",
          "6 13 14 20 21 23 24 rings"
        }
      }
    },
    count {
      heavy-atom 34,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}