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            69,
            5,
            164,
            114,
            237,
            154,
            123,
            133,
            124,
            121,
            101,
            165,
            53,
            85,
            104,
            183,
            100,
            55,
            77,
            214,
            84,
            166,
            210,
            190,
            118,
            23,
            145,
            204,
            61,
            81,
            206,
            4,
            146,
            109,
            62,
            229,
            113,
            66,
            7,
            195,
            76,
            211,
            49,
            162,
            220,
            212,
            99,
            68,
            9,
            221,
            137,
            213,
            188,
            57,
            75,
            135,
            185,
            95,
            194,
            182,
            41,
            227,
            222,
            193,
            83,
            225,
            70,
            98,
            138,
            80,
            97,
            192,
            125,
            52,
            45,
            187,
            160,
            12,
            102,
            112,
            34,
            11,
            89,
            73,
            215,
            67,
            105,
            149,
            24,
            47,
            2,
            21,
            208,
            130,
            43,
            91,
            10,
            239,
            44
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "56",
        "1 -0.56",
        "10 -0.68",
        "11 -0.53",
        "12 -0.53",
        "13 -0.57",
        "14 -0.36",
        "15 -0.53",
        "16 0.28",
        "17 0.28",
        "18 0.28",
        "19 0.56",
        "2 -0.56",
        "20 0.28",
        "21 0.56",
        "22 0.28",
        "23 0.28",
        "24 0.28",
        "25 0.28",
        "26 0.28",
        "28 0.08",
        "29 -0.15",
        "3 -0.56",
        "30 -0.15",
        "31 0.08",
        "32 0.08",
        "33 0.09",
        "34 0.42",
        "35 0.06",
        "36 0.14",
        "37 -0.14",
        "38 -0.15",
        "39 -0.15",
        "4 -0.68",
        "40 0.08",
        "41 -0.15",
        "42 0.08",
        "43 0.28",
        "5 -0.36",
        "59 0.4",
        "6 -0.68",
        "60 0.4",
        "61 0.4",
        "62 0.4",
        "63 0.4",
        "64 0.4",
        "65 0.15",
        "66 0.15",
        "69 0.45",
        "7 -0.68",
        "70 0.45",
        "73 0.15",
        "74 0.15",
        "75 0.15",
        "76 0.45",
        "8 -0.68",
        "9 -0.68"
      }
    },
    {
      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 {
        "25",
        "1 1 acceptor",
        "1 10 acceptor",
        "1 10 donor",
        "1 11 donor",
        "1 12 donor",
        "1 13 acceptor",
        "1 14 acceptor",
        "1 15 donor",
        "1 2 acceptor",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 4 donor",
        "1 5 acceptor",
        "1 6 acceptor",
        "1 6 donor",
        "1 7 acceptor",
        "1 7 donor",
        "1 8 acceptor",
        "1 8 donor",
        "1 9 acceptor",
        "1 9 donor",
        "6 2 16 17 18 21 22 rings",
        "6 28 29 30 31 32 33 rings",
        "6 3 19 20 23 24 25 rings",
        "6 37 38 39 40 41 42 rings"
      }
    }
  },
  count {
    heavy-atom 43,
    atom-chiral 10,
    atom-chiral-def 10,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 143
  }
}