PC-Compounds ::= {
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          "25 0.04",
          "26 0.23",
          "27 0.41",
          "28 0.37",
          "29 0.28",
          "3 -0.68",
          "30 0.47",
          "31 0.28",
          "32 0.28",
          "33 0.28",
          "34 0.28",
          "35 0.28",
          "36 0.28",
          "37 0.28",
          "38 0.28",
          "39 0.28",
          "4 -0.68",
          "46 0.4",
          "47 0.4",
          "48 0.15",
          "49 0.4",
          "5 -0.46",
          "53 0.15",
          "56 0.42",
          "57 0.42",
          "6 -0.56",
          "7 -0.65",
          "8 -0.65",
          "9 -0.56"
        }
      },
      {
        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 { 11, 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 {
          "21",
          "1 10 acceptor",
          "1 11 acceptor",
          "1 12 acceptor",
          "1 16 cation",
          "1 16 donor",
          "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 13 14 25 cation",
          "3 13 15 24 cation",
          "3 15 17 30 cation",
          "5 13 14 24 25 26 rings",
          "5 2 19 20 21 22 rings",
          "6 15 17 24 26 27 30 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 5,
      atom-chiral-def 4,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}