PC-Compounds ::= {
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          "32 -0.15",
          "33 0.03",
          "34 0.03",
          "35 0.08",
          "36 -0.15",
          "37 0.08",
          "38 -0.15",
          "39 -0.18",
          "4 -0.68",
          "40 -0.18",
          "5 -0.68",
          "55 0.4",
          "56 0.4",
          "57 0.4",
          "58 0.4",
          "59 0.4",
          "6 -0.68",
          "60 0.4",
          "61 0.4",
          "62 0.4",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.36",
          "70 0.15",
          "71 0.45",
          "72 0.45",
          "8 -0.36",
          "9 -0.68"
        }
      },
      {
        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 { 104, 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 {
          "26",
          "1 1 acceptor",
          "1 10 acceptor",
          "1 10 donor",
          "1 11 acceptor",
          "1 11 donor",
          "1 12 acceptor",
          "1 12 donor",
          "1 13 donor",
          "1 14 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "1 9 donor",
          "6 1 15 16 19 21 23 rings",
          "6 2 17 18 20 22 24 rings",
          "6 27 29 32 33 37 38 rings",
          "6 28 30 31 34 35 36 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 10,
      atom-chiral-def 10,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 18
    }
  }
}