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          "26 0.18",
          "27 -0.15",
          "28 -0.15",
          "29 -0.18",
          "3 -0.65",
          "30 0.57",
          "32 0.33",
          "33 -0.15",
          "34 -0.15",
          "35 -0.3",
          "36 -0.15",
          "37 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "5 -0.57",
          "54 0.15",
          "55 0.15",
          "57 0.15",
          "58 0.15",
          "6 -0.69",
          "61 0.37",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.27",
          "7 -0.66",
          "75 0.15",
          "76 0.36",
          "77 0.36",
          "78 0.15",
          "79 0.15",
          "8 -0.73",
          "80 0.15",
          "9 0.03"
        }
      },
      {
        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 { 104, 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 {
          "16",
          "1 10 cation",
          "1 10 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 8 donor",
          "1 9 cation",
          "1 9 donor",
          "3 32 38 39 hydrophobe",
          "5 6 11 14 15 18 rings",
          "5 9 29 31 35 37 rings",
          "6 15 18 19 20 23 24 rings",
          "6 25 27 28 33 34 36 rings",
          "6 31 37 40 41 42 43 rings",
          "6 7 11 12 13 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}