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            515,
            322,
            308,
            198,
            470,
            377,
            245,
            500,
            7,
            46,
            434,
            243,
            253,
            115,
            79,
            486,
            34,
            82,
            376,
            557,
            306,
            55,
            259,
            329,
            22,
            510,
            44,
            28,
            152,
            120,
            163,
            15,
            69,
            240,
            57,
            12,
            229,
            548,
            132,
            27,
            56,
            285,
            463,
            425,
            186,
            77,
            380,
            19,
            269,
            107,
            263,
            511,
            238,
            383,
            154,
            24,
            325,
            166,
            65,
            147,
            130,
            230,
            465,
            98,
            214,
            178,
            365,
            176
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "51",
        "1 -0.18",
        "12 0.42",
        "13 0.27",
        "14 0.27",
        "16 0.3",
        "17 0.27",
        "18 -0.14",
        "2 -0.18",
        "20 0.28",
        "21 0.3",
        "22 -0.14",
        "23 -0.15",
        "24 -0.15",
        "25 0.54",
        "26 0.57",
        "27 -0.15",
        "28 -0.15",
        "29 -0.15",
        "3 -0.56",
        "30 -0.15",
        "31 0.09",
        "32 0.18",
        "33 -0.15",
        "34 0.06",
        "35 -0.15",
        "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",
        "62 0.37",
        "63 0.15",
        "64 0.15",
        "65 0.15",
        "66 0.15",
        "67 0.15",
        "68 0.15",
        "69 0.15",
        "7 -0.73",
        "73 0.15",
        "74 0.15",
        "75 0.15",
        "76 0.15",
        "77 0.15",
        "78 0.15",
        "8 -0.66",
        "9 0.44"
      }
    },
    {
      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 { 124, 10, -1 }
    },
    {
      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 {
        "10",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 6 cation",
        "1 7 donor",
        "6 18 23 24 29 30 35 rings",
        "6 22 27 28 32 33 36 rings",
        "6 31 37 38 39 40 41 rings",
        "6 6 9 10 11 13 14 rings",
        "6 8 12 15 16 19 21 rings"
      }
    }
  },
  count {
    heavy-atom 41,
    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
  }
}