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            241,
            282,
            202,
            50,
            266,
            234,
            275,
            298,
            133,
            118,
            146,
            85,
            3,
            151,
            6,
            269,
            349,
            256,
            76,
            10,
            328,
            221,
            316,
            135,
            145,
            248,
            240,
            14,
            339,
            294,
            172,
            267,
            113,
            104,
            232,
            112,
            309,
            32,
            230,
            251,
            94,
            273,
            82,
            327,
            129,
            181,
            287,
            93,
            295,
            235,
            75,
            247,
            351,
            164,
            25,
            203,
            200,
            231,
            317,
            156,
            54,
            69,
            33,
            190,
            99,
            144,
            242,
            184,
            344,
            13,
            211,
            313,
            198,
            192
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
        "29",
        "1 -0.57",
        "10 -0.23",
        "14 0.3",
        "18 0.3",
        "2 -0.57",
        "23 0.36",
        "24 0.57",
        "25 0.57",
        "27 0.32",
        "28 0.46",
        "29 0.05",
        "3 -0.36",
        "30 -0.15",
        "31 -0.15",
        "32 0.08",
        "33 -0.15",
        "34 0.08",
        "35 0.28",
        "36 0.28",
        "4 -0.36",
        "5 -0.66",
        "6 -0.73",
        "60 0.37",
        "66 0.15",
        "67 0.15",
        "68 0.15",
        "7 0.58",
        "8 -0.71",
        "9 -0.42"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.05.21"
      },
      value fval { 142, 10, -1 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
        "10",
        "1 1 acceptor",
        "1 2 acceptor",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 6 donor",
        "3 8 10 28 cation",
        "5 18 19 20 21 22 rings",
        "5 7 8 9 10 28 rings",
        "6 11 12 13 15 16 17 rings",
        "6 29 30 31 32 33 34 rings"
      }
    }
  },
  count {
    heavy-atom 36,
    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
  }
}