PC-Compound ::= {
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    tetrahedral {
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        "31 0.18",
        "32 -0.29",
        "33 0.03",
        "34 -0.18",
        "35 0.5",
        "37 -0.15",
        "38 -0.3",
        "39 -0.15",
        "4 -0.57",
        "40 -0.15",
        "41 -0.15",
        "5 -0.57",
        "52 0.37",
        "54 0.45",
        "55 0.4",
        "6 -0.66",
        "7 -0.66",
        "73 0.15",
        "77 0.15",
        "78 0.15",
        "79 0.27",
        "8 -0.73",
        "80 0.15",
        "81 0.15",
        "9 -0.96"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.01.18"
      },
      value fval { 7, 10, 0 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "20",
        "1 1 acceptor",
        "1 10 cation",
        "1 10 donor",
        "1 2 acceptor",
        "1 2 donor",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 8 donor",
        "1 9 cation",
        "1 9 donor",
        "3 20 27 28 hydrophobe",
        "3 21 29 30 hydrophobe",
        "5 1 6 12 14 18 rings",
        "5 10 34 36 37 38 rings",
        "5 7 11 15 16 17 rings",
        "6 22 26 31 33 34 36 rings",
        "6 33 36 37 39 40 41 rings",
        "6 6 7 11 12 13 19 rings",
        "6 9 22 23 24 26 32 rings"
      }
    }
  },
  count {
    heavy-atom 41,
    atom-chiral 6,
    atom-chiral-def 6,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 2
  }
}