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              273,
              226,
              214,
              72,
              283,
              336,
              198,
              298,
              177,
              254,
              50,
              124,
              323,
              209,
              174,
              208,
              275,
              111,
              169,
              37,
              333,
              167,
              320,
              91,
              205,
              238,
              75,
              153,
              119,
              263,
              276,
              142,
              20,
              309,
              207,
              168,
              85,
              14,
              293,
              285,
              83,
              228,
              294,
              64,
              74,
              107,
              143,
              138,
              21,
              95,
              292,
              182,
              225,
              313,
              204,
              269,
              231,
              31,
              318,
              176,
              112,
              63,
              291,
              202,
              19,
              66,
              224,
              163,
              171,
              210,
              115,
              92,
              110,
              80,
              338,
              242,
              36,
              325,
              162,
              5,
              73,
              70,
              140,
              322,
              15,
              179,
              16,
              306,
              278,
              108,
              181,
              135,
              341,
              172,
              122,
              59,
              175,
              6,
              29,
              97,
              133,
              302,
              8,
              22,
              35,
              243,
              279,
              203,
              52,
              192,
              131,
              79,
              316,
              7,
              191,
              33,
              65,
              56,
              160,
              315,
              84,
              48,
              46,
              103,
              295,
              32,
              100,
              3,
              145,
              38,
              155,
              4,
              10,
              127,
              13,
              18,
              137,
              39,
              2,
              47
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "50",
          "1 -0.43",
          "10 -0.18",
          "12 -0.24",
          "14 -0.2",
          "15 -0.15",
          "16 0.66",
          "17 0.06",
          "19 0.01",
          "2 -0.57",
          "20 -0.11",
          "21 0.49",
          "22 -0.18",
          "23 0.57",
          "24 -0.15",
          "25 0.28",
          "28 0.09",
          "29 0.28",
          "3 -0.56",
          "30 -0.15",
          "31 -0.15",
          "32 0.42",
          "33 -0.15",
          "34 -0.15",
          "35 -0.14",
          "36 0.08",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 0.28",
          "5 -0.57",
          "50 0.15",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "6 -0.36",
          "68 0.15",
          "69 0.15",
          "7 0.33",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "8 0.06",
          "9 0.18"
        }
      },
      {
        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 { 14, 10, 0 }
      },
      {
        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 {
          "13",
          "1 13 hydrophobe",
          "1 18 hydrophobe",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 cation",
          "3 17 26 27 hydrophobe",
          "5 7 10 12 14 15 rings",
          "6 28 30 31 33 34 36 rings",
          "6 35 37 38 39 40 41 rings",
          "6 7 14 19 20 22 24 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      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
    }
  }
}