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          "16 -0.14",
          "17 -0.15",
          "18 0.09",
          "19 0.37",
          "2 -0.56",
          "20 0.37",
          "21 0.1",
          "22 -0.14",
          "23 0.28",
          "24 0.28",
          "25 -0.15",
          "26 0.09",
          "27 -0.15",
          "28 0.44",
          "29 0.14",
          "3 -0.57",
          "30 0.12",
          "31 -0.14",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 0.54",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 0.5",
          "41 0.14",
          "5 -0.84",
          "50 0.15",
          "59 0.15",
          "6 -0.66",
          "60 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.84",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.37",
          "8 -0.42",
          "9 -0.55"
        }
      },
      {
        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 { 84, 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 {
          "13",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "1 7 cation",
          "1 9 donor",
          "6 14 16 17 22 25 32 rings",
          "6 18 31 33 34 37 38 rings",
          "6 2 7 19 20 23 24 rings",
          "6 21 26 27 30 35 39 rings",
          "6 5 6 10 11 12 13 rings",
          "6 8 9 26 30 36 40 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      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 3
    }
  }
}