PC-Compounds ::= {
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      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "35",
          "1 1.45",
          "12 0.36",
          "13 0.36",
          "16 0.3",
          "18 0.3",
          "19 0.2",
          "2 -0.08",
          "21 -0.01",
          "22 0.54",
          "23 0.09",
          "24 -0.15",
          "25 -0.15",
          "26 -0.15",
          "27 -0.15",
          "28 0.04",
          "29 0.23",
          "3 -0.65",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "4 -0.65",
          "5 -0.57",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.85",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "7 -0.66",
          "8 -0.57",
          "9 0.18"
        }
      },
      {
        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 { 74, 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 {
          "9",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 8 acceptor",
          "5 2 8 19 28 29 rings",
          "6 21 23 24 25 26 27 rings",
          "6 28 29 30 31 32 33 rings",
          "6 6 9 10 11 12 13 rings",
          "6 7 14 15 16 17 18 rings"
        }
      }
    },
    count {
      heavy-atom 33,
      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 1
    }
  }
}