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          "10 -0.57",
          "11 -0.66",
          "12 -0.48",
          "16 0.3",
          "17 0.3",
          "18 0.06",
          "2 -0.56",
          "20 0.34",
          "21 0.3",
          "22 0.06",
          "23 0.57",
          "24 0.57",
          "25 0.57",
          "26 0.12",
          "27 -0.14",
          "28 0.28",
          "3 -0.57",
          "31 0.66",
          "32 -0.14",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 0.18",
          "37 0.08",
          "38 -0.15",
          "39 0.08",
          "4 -0.43",
          "40 -0.15",
          "41 0.66",
          "42 -0.15",
          "43 0.06",
          "44 0.28",
          "45 0.28",
          "5 -0.57",
          "6 -0.65",
          "7 -0.57",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.5",
          "76 0.15",
          "77 0.15",
          "8 -0.36",
          "9 -0.36"
        }
      },
      {
        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 {
          "14",
          "1 10 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "3 19 29 30 hydrophobe",
          "3 6 7 31 anion",
          "6 11 13 14 15 16 17 rings",
          "6 26 27 33 34 35 36 rings",
          "6 32 37 38 39 40 42 rings",
          "7 2 12 20 24 25 26 27 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      atom-chiral 2,
      atom-chiral-def 0,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}