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            547,
            502,
            236,
            41,
            73,
            229,
            198,
            421,
            30,
            305,
            224,
            121,
            440,
            303,
            457,
            77,
            10,
            102,
            366,
            70,
            443,
            159,
            304,
            19,
            532,
            152,
            202,
            60,
            46,
            45,
            2,
            23,
            327,
            50,
            565,
            15,
            94,
            534,
            367,
            33,
            485,
            347,
            551,
            424,
            34,
            8,
            449,
            28,
            14,
            27,
            79,
            594
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "54",
        "1 -0.18",
        "10 0.35",
        "11 -0.14",
        "12 0.57",
        "13 0.12",
        "14 -0.14",
        "16 0.44",
        "17 -0.15",
        "18 -0.15",
        "19 -0.15",
        "2 -0.18",
        "20 0.18",
        "21 0.18",
        "22 -0.14",
        "23 0.09",
        "24 -0.15",
        "25 -0.15",
        "26 -0.15",
        "27 0.54",
        "28 0.08",
        "29 -0.15",
        "3 -0.57",
        "30 0.3",
        "32 0.3",
        "33 -0.15",
        "34 -0.15",
        "35 0.08",
        "36 0.14",
        "38 -0.14",
        "39 0.28",
        "4 -0.36",
        "40 -0.15",
        "41 -0.15",
        "42 0.28",
        "43 0.16",
        "44 0.16",
        "5 -0.57",
        "50 0.15",
        "51 0.15",
        "52 0.15",
        "53 0.15",
        "54 0.15",
        "55 0.15",
        "56 0.15",
        "6 -0.36",
        "63 0.15",
        "64 0.15",
        "7 -0.48",
        "73 0.15",
        "74 0.15",
        "78 0.15",
        "79 0.15",
        "8 -0.66",
        "9 -0.62"
      }
    },
    {
      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 {
        "10",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 6 acceptor",
        "1 9 acceptor",
        "5 7 10 11 12 13 rings",
        "6 11 13 17 18 21 24 rings",
        "6 14 19 20 23 25 26 rings",
        "6 22 28 29 33 34 35 rings",
        "6 9 38 40 41 43 44 rings"
      }
    }
  },
  count {
    heavy-atom 44,
    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
  }
}