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            57,
            186,
            6,
            35,
            73,
            20,
            114,
            76,
            10,
            109,
            116,
            145,
            74,
            40,
            44,
            32,
            166,
            213,
            99,
            167,
            27,
            179,
            150,
            69,
            101,
            190,
            198,
            29,
            105,
            55,
            82,
            183,
            85,
            170,
            155,
            2,
            65,
            80,
            61,
            98,
            163,
            206,
            46,
            108,
            106,
            7,
            54,
            21,
            36,
            211,
            152,
            88,
            71,
            75,
            112,
            53,
            77,
            102,
            12,
            171,
            34,
            4,
            86,
            123,
            66,
            22,
            48,
            162,
            78,
            60,
            185,
            156,
            81,
            191,
            15,
            126,
            159,
            38,
            3,
            63,
            19,
            58,
            92,
            49,
            5,
            39,
            124,
            83
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "43",
        "1 -0.18",
        "10 0.33",
        "13 0.27",
        "14 0.27",
        "15 0.27",
        "16 0.27",
        "17 0.57",
        "18 0.27",
        "2 -0.18",
        "23 0.42",
        "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",
        "7 -0.81",
        "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 "2012.01.18"
      },
      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 "2012.02.08"
      },
      value slist {
        "10",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 6 cation",
        "1 7 cation",
        "6 25 30 31 33 34 36 rings",
        "6 3 9 23 24 26 27 rings",
        "6 35 37 38 39 40 41 rings",
        "6 6 15 16 19 20 22 rings",
        "6 7 10 11 12 13 14 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 1
  }
}