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          "25 -0.15",
          "26 -0.15",
          "28 0.31",
          "29 0.31",
          "3 -0.81",
          "30 0.31",
          "31 0.31",
          "33 -0.14",
          "34 -0.15",
          "35 -0.15",
          "36 0.14",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.48",
          "40 0.3",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 0.57",
          "45 0.06",
          "5 -0.55",
          "57 0.37",
          "58 0.15",
          "59 0.15",
          "6 -0.62",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "7 -0.62",
          "70 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.37",
          "78 0.15",
          "8 -0.73",
          "9 0.3"
        }
      },
      {
        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 {
          "14",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 cation",
          "1 5 donor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 donor",
          "5 4 5 15 16 17 rings",
          "6 15 17 19 20 23 24 rings",
          "6 18 21 22 25 26 27 rings",
          "6 3 9 10 11 12 13 rings",
          "6 30 31 33 34 35 37 rings",
          "6 32 38 39 41 42 43 rings",
          "6 6 7 28 29 30 31 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      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 4
    }
  }
}