PC-Compound ::= {
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        "21 0.12",
        "22 0.44",
        "23 0.18",
        "24 -0.15",
        "26 -0.14",
        "27 -0.15",
        "28 -0.15",
        "29 -0.29",
        "3 -0.57",
        "31 -0.15",
        "32 -0.15",
        "33 0.14",
        "34 0.48",
        "35 -0.29",
        "4 -0.57",
        "5 -0.81",
        "54 0.36",
        "55 0.37",
        "57 0.15",
        "6 -0.9",
        "60 0.15",
        "61 0.15",
        "62 0.15",
        "66 0.15",
        "67 0.15",
        "7 -0.48",
        "71 0.15",
        "8 -0.73",
        "9 0.27"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.05.21"
      },
      value fval { 96, 10, -1 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
        "12",
        "1 3 acceptor",
        "1 30 hydrophobe",
        "1 4 acceptor",
        "1 5 cation",
        "1 6 cation",
        "1 6 donor",
        "1 8 donor",
        "3 10 17 18 hydrophobe",
        "6 21 23 24 27 28 32 rings",
        "6 26 29 31 33 34 35 rings",
        "6 5 7 10 14 15 19 rings",
        "6 6 9 11 12 13 16 rings"
      }
    }
  },
  count {
    heavy-atom 35,
    atom-chiral 4,
    atom-chiral-def 3,
    atom-chiral-undef 1,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 4
  }
}