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            21,
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            232,
            221,
            83,
            264,
            288,
            40,
            142,
            251,
            284,
            107,
            34,
            276,
            231,
            89,
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            180,
            43,
            126,
            222,
            202,
            81,
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            262,
            80,
            277,
            124,
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            94,
            248,
            238,
            62,
            75,
            35,
            140,
            88,
            237,
            157,
            179,
            164,
            287,
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            194,
            84,
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            200,
            235,
            26,
            52,
            244,
            191,
            121,
            106,
            193,
            266,
            51,
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            274,
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            78,
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            82,
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          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
        "43",
        "1 -0.18",
        "10 0.33",
        "11 0.27",
        "13 0.27",
        "2 -0.18",
        "20 0.42",
        "21 0.27",
        "22 0.27",
        "23 0.57",
        "24 0.3",
        "25 -0.14",
        "26 0.28",
        "27 0.3",
        "28 0.3",
        "29 0.3",
        "3 -0.56",
        "30 -0.15",
        "31 -0.15",
        "32 0.54",
        "33 0.18",
        "34 -0.15",
        "35 0.09",
        "36 0.18",
        "37 -0.15",
        "38 -0.15",
        "39 -0.15",
        "4 -0.57",
        "40 -0.15",
        "41 -0.15",
        "5 -0.57",
        "6 -0.81",
        "63 0.36",
        "7 -0.9",
        "76 0.15",
        "77 0.15",
        "78 0.15",
        "79 0.15",
        "8 -0.66",
        "80 0.15",
        "81 0.15",
        "82 0.15",
        "83 0.15",
        "9 -0.66"
      }
    },
    {
      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 { 126, 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 {
        "11",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 6 cation",
        "1 7 cation",
        "1 7 donor",
        "6 25 30 31 33 34 36 rings",
        "6 3 9 20 24 26 27 rings",
        "6 35 37 38 39 40 41 rings",
        "6 6 11 12 13 17 18 rings",
        "6 7 10 15 16 21 22 rings"
      }
    }
  },
  count {
    heavy-atom 41,
    atom-chiral 2,
    atom-chiral-def 1,
    atom-chiral-undef 1,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}