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            219,
            202,
            218,
            92,
            223,
            62,
            195,
            169,
            227,
            242,
            243,
            32,
            199,
            175,
            206,
            7,
            52,
            164,
            160,
            146,
            240,
            86,
            204,
            125,
            41,
            224,
            85,
            19,
            15,
            69,
            180,
            155,
            48,
            123,
            178,
            205,
            84,
            136,
            209,
            16,
            147,
            228,
            198,
            20,
            184,
            24,
            140,
            130,
            208,
            118,
            247,
            149,
            10,
            183,
            107,
            40,
            63,
            37,
            159,
            22,
            113,
            67,
            90,
            26,
            158,
            110,
            212,
            59,
            156,
            73,
            79,
            35,
            170,
            231,
            157,
            193,
            4,
            53,
            56,
            217,
            34,
            138,
            82,
            30,
            99,
            33,
            65,
            58,
            106,
            145,
            47,
            57,
            94,
            66,
            6,
            95,
            141,
            216,
            8,
            43,
            39,
            143,
            3,
            93,
            122,
            131,
            46,
            120,
            18,
            14,
            89,
            17,
            111,
            27,
            21,
            77,
            2,
            5,
            31,
            54,
            28,
            9
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "62",
        "1 -0.34",
        "10 -0.73",
        "11 -0.73",
        "12 -0.62",
        "13 0.33",
        "14 0.27",
        "15 0.27",
        "16 0.27",
        "17 0.27",
        "18 0.28",
        "2 -0.34",
        "20 0.06",
        "21 0.44",
        "22 0.28",
        "23 0.14",
        "24 -0.14",
        "25 0.41",
        "26 0.57",
        "27 0.57",
        "28 -0.14",
        "29 0.14",
        "3 -0.34",
        "30 -0.15",
        "31 -0.14",
        "32 -0.14",
        "33 -0.15",
        "34 -0.15",
        "35 -0.15",
        "36 0.3",
        "37 -0.15",
        "38 -0.15",
        "39 -0.15",
        "4 -0.68",
        "40 0.16",
        "41 1.02",
        "42 -0.15",
        "43 -0.15",
        "44 -0.15",
        "45 -0.15",
        "46 0.16",
        "5 -0.68",
        "6 -0.57",
        "68 0.37",
        "69 0.4",
        "7 -0.57",
        "70 0.15",
        "71 0.37",
        "72 0.15",
        "73 0.4",
        "74 0.15",
        "75 0.15",
        "78 0.15",
        "79 0.15",
        "8 -0.81",
        "80 0.15",
        "81 0.15",
        "82 0.15",
        "83 0.15",
        "84 0.15",
        "85 0.15",
        "86 0.15",
        "9 -0.81"
      }
    },
    {
      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 { 168, 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 {
        "16",
        "1 10 donor",
        "1 11 donor",
        "1 12 acceptor",
        "1 4 acceptor",
        "1 4 donor",
        "1 5 acceptor",
        "1 5 donor",
        "1 6 acceptor",
        "1 7 acceptor",
        "1 8 cation",
        "1 9 cation",
        "5 21 22 23 24 28 rings",
        "6 12 31 37 40 44 46 rings",
        "6 24 28 30 33 34 35 rings",
        "6 32 38 39 42 43 45 rings",
        "6 8 9 13 14 16 17 rings"
      }
    }
  },
  count {
    heavy-atom 46,
    atom-chiral 5,
    atom-chiral-def 5,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 4
  }
}