PC-Compounds ::= {
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "37",
          "1 -0.57",
          "12 0.27",
          "13 0.27",
          "15 0.27",
          "16 0.27",
          "17 0.27",
          "18 0.3",
          "2 -0.57",
          "23 0.69",
          "24 0.12",
          "25 0.43",
          "26 0.09",
          "27 0.12",
          "28 -0.15",
          "29 0.54",
          "3 -0.81",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 0.16",
          "35 -0.15",
          "4 -0.81",
          "5 -0.73",
          "59 0.37",
          "6 -0.29",
          "66 0.15",
          "67 0.37",
          "68 0.15",
          "69 0.15",
          "7 -0.55",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "8 -0.62",
          "9 0.27"
        }
      },
      {
        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 { 126, 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 {
          "13",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 21 hydrophobe",
          "1 22 hydrophobe",
          "1 3 cation",
          "1 4 cation",
          "1 5 donor",
          "1 7 donor",
          "1 8 acceptor",
          "6 24 26 28 30 32 33 rings",
          "6 3 9 10 11 12 14 rings",
          "6 8 25 27 31 34 35 rings",
          "7 6 7 24 25 26 27 29 rings"
        }
      }
    },
    count {
      heavy-atom 35,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}