PC-Compounds ::= {
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          "30 -0.18",
          "31 0.75",
          "33 0.47",
          "34 -0.15",
          "35 -0.3",
          "36 -0.15",
          "37 -0.15",
          "38 0.57",
          "39 -0.15",
          "4 -0.68",
          "40 -0.15",
          "41 0.33",
          "48 0.4",
          "49 0.4",
          "5 -0.46",
          "50 0.15",
          "54 0.42",
          "55 0.15",
          "56 0.37",
          "57 0.15",
          "58 0.27",
          "59 0.4",
          "6 -0.65",
          "60 0.4",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "67 0.36",
          "68 0.36",
          "7 -0.65",
          "8 -0.57",
          "9 -0.57"
        }
      },
      {
        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 { 13, 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 {
          "25",
          "1 13 donor",
          "1 15 donor",
          "1 16 cation",
          "1 16 donor",
          "1 17 cation",
          "1 17 donor",
          "1 18 cation",
          "1 18 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "3 10 11 25 cation",
          "3 10 12 24 cation",
          "3 12 14 33 cation",
          "5 10 11 24 25 26 rings",
          "5 16 30 32 34 35 rings",
          "5 2 19 20 21 22 rings",
          "6 12 14 24 26 28 33 rings",
          "6 32 34 36 37 39 40 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 5,
      atom-chiral-def 5,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 12
    }
  }
}