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          "33 0.18",
          "34 0.18",
          "35 0.18",
          "36 0.18",
          "37 0.18",
          "38 0.18",
          "39 0.18",
          "4 -0.65",
          "40 0.18",
          "41 0.06",
          "42 0.06",
          "43 0.06",
          "44 0.06",
          "45 0.66",
          "46 0.66",
          "47 0.66",
          "48 0.66",
          "5 -0.57",
          "57 0.27",
          "58 0.27",
          "59 0.27",
          "6 -0.57",
          "60 0.27",
          "7 -0.57",
          "8 -0.57",
          "89 0.5",
          "9 0.03",
          "90 0.5",
          "91 0.5",
          "92 0.5"
        }
      },
      {
        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 { 128, 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 {
          "24",
          "1 1 acceptor",
          "1 10 cation",
          "1 10 donor",
          "1 11 cation",
          "1 11 donor",
          "1 12 cation",
          "1 12 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 cation",
          "1 9 donor",
          "3 1 5 45 anion",
          "3 2 6 46 anion",
          "3 3 7 47 anion",
          "3 4 8 48 anion",
          "5 10 14 21 26 31 rings",
          "5 11 15 20 27 30 rings",
          "5 12 18 23 28 32 rings",
          "5 9 13 17 25 29 rings"
        }
      }
    },
    count {
      heavy-atom 48,
      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 1
    }
  }
}