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        },
        value slist {
          "48",
          "1 -0.36",
          "10 0.03",
          "11 -0.14",
          "12 0.44",
          "13 -0.15",
          "14 -0.15",
          "15 0.14",
          "16 0.08",
          "17 0.62",
          "18 -0.15",
          "19 -0.14",
          "2 -0.57",
          "20 -0.12",
          "21 -0.15",
          "22 -0.15",
          "23 -0.18",
          "24 0.14",
          "25 0.03",
          "26 -0.15",
          "27 -0.15",
          "28 -0.15",
          "29 0.28",
          "3 -0.36",
          "30 -0.15",
          "31 -0.15",
          "32 0.08",
          "33 0.08",
          "34 0.08",
          "35 0.28",
          "36 0.28",
          "37 0.28",
          "4 -0.36",
          "42 0.15",
          "43 0.15",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.36",
          "50 0.15",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "6 -0.47",
          "60 0.15",
          "61 0.15",
          "7 0.08",
          "8 0.28",
          "9 -0.28"
        }
      },
      {
        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 { 102, 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 {
          "10",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 24 hydrophobe",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "5 7 8 9 10 11 rings",
          "6 10 11 13 14 16 18 rings",
          "6 19 21 22 26 27 28 rings",
          "6 25 30 31 32 33 34 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 0,
      bond-chiral-undef 1,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}