PC-Compounds ::= {
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          "16 0.55",
          "17 0.51",
          "18 -0.14",
          "19 0.14",
          "2 -0.34",
          "20 -0.14",
          "21 0.51",
          "22 0.71",
          "23 -0.15",
          "24 -0.15",
          "25 -0.14",
          "26 -0.15",
          "27 -0.15",
          "28 0.18",
          "29 -0.15",
          "3 -0.34",
          "30 -0.15",
          "31 -0.15",
          "32 -0.14",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 0.08",
          "37 0.08",
          "38 0.08",
          "39 1.16",
          "4 -0.34",
          "40 0.28",
          "41 0.28",
          "42 0.28",
          "43 0.28",
          "5 -0.43",
          "50 0.4",
          "53 0.15",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.57",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "7 -0.36",
          "8 -0.36",
          "9 -0.36"
        }
      },
      {
        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 { 124, 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 {
          "10",
          "1 12 donor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "4 10 11 12 16 cation",
          "6 10 11 13 14 15 16 rings",
          "6 18 23 24 28 29 35 rings",
          "6 20 26 27 30 31 32 rings",
          "6 25 33 34 36 37 38 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      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 2
    }
  }
}