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          "13 0.14",
          "14 -0.29",
          "15 0.14",
          "16 -0.29",
          "17 0.14",
          "18 0.14",
          "19 0.14",
          "2 0.14",
          "20 0.14",
          "21 0.14",
          "22 0.14",
          "23 -0.29",
          "24 -0.29",
          "25 -0.28",
          "26 -0.28",
          "27 0.14",
          "28 0.14",
          "29 0.14",
          "3 0.14",
          "30 0.14",
          "4 0.14",
          "43 0.15",
          "44 0.15",
          "49 0.15",
          "5 0.14",
          "50 0.15",
          "6 0.14",
          "67 0.15",
          "68 0.15",
          "7 -0.28",
          "8 -0.28",
          "9 -0.29"
        }
      },
      {
        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 { 15, 10, 0 }
      },
      {
        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 19 hydrophobe",
          "1 20 hydrophobe",
          "1 21 hydrophobe",
          "1 22 hydrophobe",
          "3 25 27 28 hydrophobe",
          "3 26 29 30 hydrophobe",
          "4 1 5 7 14 hydrophobe",
          "4 11 13 17 23 hydrophobe",
          "4 12 15 18 24 hydrophobe",
          "4 2 6 8 16 hydrophobe",
          "4 3 4 9 10 hydrophobe"
        }
      }
    },
    count {
      heavy-atom 30,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 4,
      bond-chiral-def 4,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}