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            309,
            192,
            272,
            221,
            163,
            291,
            39,
            160,
            198,
            145,
            7,
            3,
            137,
            98,
            41,
            61,
            53,
            148,
            106,
            101,
            249,
            123,
            235,
            72,
            25,
            32,
            203,
            43,
            286,
            134,
            283,
            155,
            24,
            142,
            241,
            305,
            165,
            128,
            316,
            27,
            184,
            141,
            78,
            188,
            63,
            15,
            12,
            48,
            152,
            139,
            143,
            93,
            28,
            130,
            243,
            115,
            44,
            52,
            19,
            162,
            33,
            45,
            54,
            35,
            206,
            50,
            64,
            86,
            29,
            8,
            49,
            71,
            85,
            132,
            55,
            23,
            21,
            14,
            51,
            2,
            79
          }
        }
      }
    }
  },
  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 0.27",
        "13 0.27",
        "14 0.42",
        "15 0.27",
        "18 -0.14",
        "19 0.3",
        "2 -0.18",
        "20 -0.14",
        "21 0.3",
        "22 0.28",
        "23 -0.15",
        "24 -0.15",
        "25 0.57",
        "26 -0.15",
        "27 -0.15",
        "28 0.54",
        "29 -0.15",
        "3 -0.56",
        "30 -0.15",
        "31 0.06",
        "32 -0.15",
        "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",
        "58 0.37",
        "6 -0.81",
        "63 0.15",
        "64 0.15",
        "65 0.15",
        "66 0.15",
        "67 0.15",
        "68 0.15",
        "7 -0.73",
        "72 0.15",
        "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 32 rings",
        "6 20 26 27 33 34 36 rings",
        "6 3 8 14 19 21 22 rings",
        "6 35 37 38 39 40 41 rings",
        "6 6 9 10 11 12 13 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
  }
}