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              239,
              136,
              28,
              100,
              273,
              64,
              167,
              90,
              115,
              287,
              153,
              216,
              185,
              54,
              281,
              162,
              142,
              219,
              99,
              61,
              2,
              20,
              184,
              96,
              158,
              282,
              81,
              49,
              160,
              191,
              6,
              198,
              85,
              250,
              107,
              13,
              55,
              17,
              57,
              143,
              39,
              79,
              288,
              200,
              220,
              118,
              75,
              109,
              124,
              246,
              89,
              93,
              76,
              18,
              113,
              44,
              151,
              86,
              94,
              258,
              119,
              111,
              150,
              4,
              60,
              280,
              170,
              24,
              182,
              133,
              45,
              276,
              83,
              149,
              97,
              194,
              68,
              9,
              48,
              12,
              129,
              154,
              147,
              161,
              213,
              95,
              139,
              242,
              36,
              233,
              243,
              105,
              112,
              101,
              199,
              127,
              65,
              255,
              59,
              210,
              166,
              51,
              21,
              195,
              32,
              155,
              277,
              19,
              152,
              41,
              73,
              15,
              58,
              11,
              128,
              52,
              27,
              50,
              22,
              5,
              103,
              110,
              217,
              34,
              157,
              10,
              187,
              74,
              7,
              62,
              125,
              256,
              215,
              278,
              180,
              232,
              31,
              37,
              140,
              141,
              218
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "43",
          "1 -0.18",
          "10 0.33",
          "13 0.27",
          "14 0.27",
          "15 0.27",
          "16 0.27",
          "17 0.27",
          "18 0.57",
          "2 -0.18",
          "23 0.42",
          "25 0.3",
          "26 -0.14",
          "27 0.3",
          "28 0.28",
          "29 -0.15",
          "3 -0.56",
          "30 -0.15",
          "31 0.54",
          "32 0.18",
          "33 -0.15",
          "34 0.09",
          "35 0.18",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "5 -0.57",
          "6 -0.81",
          "67 0.37",
          "68 0.37",
          "7 -0.81",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.8",
          "80 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 { 126, 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 {
          "11",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 7 cation",
          "1 8 donor",
          "6 26 29 30 32 33 35 rings",
          "6 3 9 23 25 27 28 rings",
          "6 34 36 37 38 39 40 rings",
          "6 6 15 16 19 20 21 rings",
          "6 7 10 11 12 13 14 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      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
    }
  }
}