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            142,
            187,
            286,
            285,
            97,
            352,
            182,
            23,
            200,
            367,
            289,
            170,
            315,
            273,
            41,
            333,
            172,
            303,
            295,
            314,
            101,
            279,
            260,
            236,
            278,
            14,
            132,
            366,
            165,
            31,
            181,
            355,
            179,
            294,
            258,
            15,
            243,
            188,
            359,
            316,
            103,
            342,
            287,
            255,
            8,
            65,
            207,
            62,
            109,
            164,
            281,
            55,
            44,
            117,
            96,
            88,
            218,
            173,
            347,
            57,
            58,
            40,
            128,
            248,
            362,
            119,
            29,
            334,
            307,
            81,
            247,
            332,
            113,
            37,
            152,
            123,
            190,
            193,
            78,
            240
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "31",
        "1 -0.56",
        "10 -0.68",
        "11 -0.68",
        "12 0.28",
        "13 0.28",
        "14 0.28",
        "15 0.28",
        "16 0.56",
        "17 0.28",
        "18 0.42",
        "19 -0.06",
        "2 -0.36",
        "20 0.28",
        "21 0.56",
        "22 -0.06",
        "25 0.28",
        "28 0.42",
        "3 -0.68",
        "4 -0.68",
        "44 0.4",
        "45 0.4",
        "46 0.4",
        "5 -0.68",
        "6 -0.36",
        "61 0.4",
        "62 0.4",
        "65 0.4",
        "7 -0.56",
        "70 0.4",
        "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 { 16, 10, 0 }
    },
    {
      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 {
        "21",
        "1 1 acceptor",
        "1 10 acceptor",
        "1 10 donor",
        "1 11 acceptor",
        "1 11 donor",
        "1 2 acceptor",
        "1 3 acceptor",
        "1 3 donor",
        "1 33 hydrophobe",
        "1 4 acceptor",
        "1 4 donor",
        "1 5 acceptor",
        "1 5 donor",
        "1 6 acceptor",
        "1 7 acceptor",
        "1 8 acceptor",
        "1 8 donor",
        "1 9 acceptor",
        "1 9 donor",
        "6 1 12 13 14 15 16 rings",
        "6 6 18 19 20 21 22 rings"
      }
    }
  },
  count {
    heavy-atom 33,
    atom-chiral 8,
    atom-chiral-def 5,
    atom-chiral-undef 3,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}