PC-Compounds ::= {
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          "17 0.11",
          "18 0.23",
          "19 0.04",
          "2 -0.68",
          "20 0.37",
          "21 0.55",
          "22 -0.18",
          "23 0.18",
          "24 -0.33",
          "25 0.41",
          "27 -0.15",
          "28 0.47",
          "29 -0.15",
          "3 -0.68",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "4 -0.68",
          "41 0.4",
          "42 0.4",
          "43 0.15",
          "5 0.05",
          "50 0.27",
          "51 0.4",
          "52 0.15",
          "53 0.15",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "6 -0.84",
          "7 -0.57",
          "8 0.03",
          "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 { 48, 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 {
          "18",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 8 cation",
          "1 8 donor",
          "3 5 7 19 cation",
          "3 6 10 25 cation",
          "3 9 10 28 cation",
          "5 1 11 12 13 14 rings",
          "5 5 7 17 18 19 rings",
          "5 8 22 24 26 27 rings",
          "6 26 27 29 30 31 32 rings",
          "6 6 20 21 22 23 24 rings",
          "6 9 10 17 18 25 28 rings"
        }
      }
    },
    count {
      heavy-atom 32,
      atom-chiral 4,
      atom-chiral-def 1,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}