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              172,
              48,
              243,
              146,
              110,
              60,
              216,
              27,
              270,
              170,
              204,
              234,
              202,
              219,
              95,
              59,
              271,
              114,
              257,
              38,
              109,
              80,
              111,
              145,
              11,
              206,
              141,
              33,
              164,
              22,
              121,
              3,
              156,
              88,
              235,
              239,
              184,
              5,
              256,
              188,
              93,
              181,
              70,
              258,
              37,
              151,
              19,
              12,
              185,
              193,
              195,
              116,
              68,
              173,
              124,
              214,
              45,
              267,
              16,
              35,
              161,
              46,
              139,
              250,
              92,
              10,
              117,
              53,
              186,
              122,
              26,
              137,
              215,
              249,
              274,
              6,
              43,
              210,
              153,
              100,
              39,
              69,
              103,
              64,
              76,
              174,
              72,
              268,
              134,
              84,
              96,
              251,
              132,
              248,
              61,
              30,
              165,
              227,
              220,
              58,
              244,
              144,
              138,
              31,
              73,
              159,
              154,
              263,
              62,
              94,
              82,
              21,
              237,
              163,
              128,
              104,
              224,
              65,
              201,
              262,
              205,
              71,
              222,
              130,
              120,
              245,
              14,
              112,
              8,
              44,
              147,
              90,
              221,
              182,
              87,
              125,
              115,
              49,
              157,
              57,
              190,
              203,
              32,
              24,
              136,
              168,
              51,
              162,
              18,
              28,
              127,
              77,
              56,
              67,
              85,
              228,
              36,
              247,
              232,
              66,
              7,
              229,
              83,
              177,
              2,
              175,
              191,
              148,
              246,
              126,
              29,
              212,
              259
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "56",
          "1 -0.57",
          "11 0.27",
          "12 0.27",
          "13 0.57",
          "14 0.36",
          "15 0.57",
          "16 0.3",
          "17 0.27",
          "18 0.18",
          "19 0.18",
          "2 -0.57",
          "22 -0.18",
          "23 -0.18",
          "27 -0.3",
          "28 -0.3",
          "3 -0.66",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 0.14",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.81",
          "40 -0.15",
          "41 -0.14",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 -0.15",
          "46 -0.15",
          "5 -0.73",
          "58 0.37",
          "6 0.03",
          "7 0.03",
          "71 0.15",
          "72 0.15",
          "75 0.27",
          "76 0.27",
          "77 0.15",
          "78 0.15",
          "8 0.36",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "84 0.15",
          "85 0.15",
          "86 0.15",
          "87 0.15",
          "88 0.15",
          "89 0.15",
          "90 0.15",
          "91 0.15"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 136, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "16",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 4 cation",
          "1 5 donor",
          "1 6 cation",
          "1 6 donor",
          "1 7 cation",
          "1 7 donor",
          "5 20 21 24 29 34 hydrophobe",
          "5 6 22 25 27 30 rings",
          "5 7 23 26 28 31 rings",
          "6 25 30 32 35 37 39 rings",
          "6 26 31 33 36 38 40 rings",
          "6 3 5 8 13 14 15 rings",
          "6 4 8 9 10 11 12 rings",
          "6 41 42 43 44 45 46 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      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
    }
  }
}