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              131,
              118,
              163,
              39,
              265,
              136,
              303,
              84,
              211,
              112,
              264,
              123,
              266,
              35,
              151,
              154,
              189,
              223,
              108,
              147,
              161,
              287,
              184,
              100,
              166,
              306,
              275,
              290,
              158,
              198,
              70,
              258,
              8,
              36,
              40,
              80,
              72,
              312,
              126,
              182,
              10,
              25,
              304,
              295,
              19,
              58,
              31,
              192,
              110,
              146,
              180,
              177,
              93,
              76,
              6,
              214,
              90,
              86,
              178,
              29,
              217,
              270,
              42,
              169,
              95,
              7,
              313,
              103,
              59,
              267,
              135,
              197,
              32,
              49,
              202,
              174,
              218,
              44,
              41,
              229,
              195,
              159,
              20,
              181,
              51,
              16,
              283,
              183,
              149,
              101,
              48,
              57,
              67,
              237,
              170,
              26,
              209,
              113,
              53,
              14,
              33,
              299,
              102,
              111,
              68,
              222,
              142,
              9,
              285,
              297,
              83,
              128,
              145,
              215,
              37,
              97,
              54,
              121,
              220,
              34,
              52,
              305,
              21,
              98,
              2,
              162,
              89,
              91,
              81,
              99,
              47,
              38,
              115,
              88,
              3,
              125,
              279,
              13,
              73,
              190,
              45,
              138,
              225,
              107,
              213,
              296,
              109,
              56,
              4,
              87,
              167,
              46,
              77,
              274,
              116,
              5,
              206,
              82,
              293,
              122,
              179,
              117
            }
          }
        }
      }
    },
    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 -0.18",
          "10 -0.66",
          "11 0.44",
          "14 0.27",
          "15 0.27",
          "16 0.27",
          "17 0.42",
          "19 -0.14",
          "2 -0.18",
          "20 0.3",
          "21 -0.14",
          "22 0.3",
          "23 0.28",
          "24 -0.15",
          "25 -0.15",
          "26 0.69",
          "27 -0.15",
          "28 -0.15",
          "29 0.54",
          "3 -0.56",
          "30 -0.15",
          "31 -0.15",
          "32 0.3",
          "33 0.3",
          "34 -0.15",
          "35 0.18",
          "36 -0.15",
          "37 0.28",
          "38 0.28",
          "39 0.09",
          "4 -0.57",
          "40 0.18",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 -0.15",
          "5 -0.56",
          "58 0.37",
          "6 -0.57",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.81",
          "70 0.15",
          "75 0.15",
          "76 0.15",
          "8 -0.73",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "84 0.15",
          "85 0.15",
          "9 -0.66"
        }
      },
      {
        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 {
          "12",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 cation",
          "1 8 donor",
          "6 19 24 25 30 31 34 rings",
          "6 21 27 28 35 36 40 rings",
          "6 3 9 17 20 22 23 rings",
          "6 39 41 42 43 44 45 rings",
          "6 5 10 32 33 37 38 rings",
          "6 7 11 12 13 14 15 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      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
    }
  }
}