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              28,
              184,
              315,
              7,
              79,
              71,
              98,
              305,
              170,
              158,
              100,
              2,
              216,
              269,
              102,
              110,
              149,
              195,
              123,
              220,
              94,
              168,
              293,
              240,
              66,
              212,
              16,
              64,
              283,
              134,
              238,
              56,
              75,
              44,
              174,
              316,
              201,
              209,
              150,
              124,
              156,
              91,
              46,
              52,
              41,
              206,
              119,
              24,
              159,
              191,
              176,
              192,
              38,
              31,
              144,
              177,
              162,
              249,
              137,
              48,
              135,
              297,
              163,
              32,
              253,
              63,
              175,
              126,
              232,
              199,
              185,
              11,
              50,
              282,
              4,
              268,
              125,
              186,
              222,
              273,
              54,
              40,
              257,
              258,
              140,
              37,
              202,
              142,
              92,
              141,
              178,
              157,
              272,
              197,
              42,
              227,
              53,
              43,
              117,
              289,
              128,
              77,
              34,
              228,
              127,
              193,
              171,
              307,
              96,
              29,
              69,
              261,
              236,
              20,
              23,
              152,
              304,
              35,
              311,
              254,
              132,
              57,
              17,
              14,
              148,
              112,
              310,
              130,
              51,
              36,
              196,
              87,
              173,
              204,
              303,
              81,
              167,
              198,
              108,
              145,
              122,
              284,
              95,
              302,
              106,
              263,
              89,
              169,
              18,
              251,
              235,
              146,
              33,
              120,
              241,
              21,
              39,
              291,
              103,
              61,
              58,
              203,
              133,
              312,
              10,
              194,
              22,
              314,
              93,
              210,
              207,
              260,
              143,
              237,
              88,
              295,
              164,
              111,
              49,
              242,
              262,
              165,
              296,
              155,
              60,
              279,
              26,
              308,
              233,
              270,
              255,
              290,
              200,
              300,
              230,
              19,
              271,
              275,
              129,
              97,
              190,
              266,
              109,
              277,
              247,
              248,
              252,
              139,
              256
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "37",
          "1 -0.68",
          "10 0.28",
          "14 0.06",
          "15 0.28",
          "16 0.14",
          "2 -0.68",
          "27 0.33",
          "28 0.28",
          "29 -0.28",
          "3 -0.68",
          "30 0.42",
          "31 -0.14",
          "32 0.71",
          "33 0.54",
          "34 0.09",
          "35 0.08",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.43",
          "5 -0.57",
          "6 -0.57",
          "64 0.06",
          "66 0.4",
          "67 0.4",
          "7 -0.53",
          "70 0.15",
          "71 0.4",
          "72 0.37",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.45",
          "8 -0.51",
          "9 -0.37"
        }
      },
      {
        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 { 76, 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 {
          "17",
          "1 1 acceptor",
          "1 1 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 3 donor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 9 donor",
          "5 10 12 16 19 22 rings",
          "5 4 29 30 31 32 rings",
          "6 10 11 12 13 17 18 rings",
          "6 11 13 14 15 20 21 rings",
          "6 14 15 23 25 26 28 rings",
          "6 34 35 36 37 38 39 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 8,
      atom-chiral-def 3,
      atom-chiral-undef 5,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 7
    }
  }
}