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              127,
              17,
              34,
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              244,
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              72,
              149,
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              247,
              67,
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              163,
              253,
              93,
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              147,
              259,
              180,
              45,
              112,
              234,
              128,
              53,
              192,
              184,
              70,
              266,
              197,
              235,
              74,
              115,
              216,
              199,
              59,
              91,
              251,
              118,
              171,
              206,
              160,
              8,
              101,
              176,
              104,
              116,
              282,
              50,
              122,
              210,
              242,
              209,
              64,
              25,
              54,
              207,
              217,
              257,
              84,
              270,
              136,
              194,
              183,
              88,
              175,
              214,
              52,
              46,
              203,
              60,
              161,
              86,
              23,
              188,
              106,
              267,
              148,
              42,
              167,
              243,
              173,
              124,
              143,
              29,
              31,
              166,
              39,
              190,
              151,
              15,
              81,
              246,
              239,
              71,
              4,
              153,
              92,
              286,
              61,
              36,
              255,
              204,
              198,
              5,
              205,
              285,
              58,
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              95,
              102,
              77,
              202,
              278,
              162,
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              1,
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              90,
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              63,
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              125,
              82,
              3,
              195,
              228
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "44",
          "1 -0.18",
          "10 0.42",
          "12 0.27",
          "13 0.27",
          "14 0.27",
          "15 0.27",
          "16 0.27",
          "17 0.33",
          "18 0.3",
          "19 -0.14",
          "2 -0.18",
          "20 0.3",
          "21 0.28",
          "24 0.57",
          "25 0.57",
          "26 -0.15",
          "27 -0.15",
          "28 0.2",
          "29 0.18",
          "3 -0.56",
          "30 -0.15",
          "31 0.18",
          "32 0.3",
          "33 0.3",
          "34 -0.14",
          "35 -0.15",
          "36 -0.15",
          "37 -0.14",
          "38 -0.14",
          "39 -0.15",
          "4 -0.57",
          "40 0.14",
          "41 0.14",
          "5 -0.57",
          "6 -0.81",
          "68 0.15",
          "69 0.15",
          "7 -0.81",
          "72 0.15",
          "79 0.15",
          "8 -0.66",
          "80 0.15",
          "81 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 { 144, 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 42 hydrophobe",
          "1 43 hydrophobe",
          "1 5 acceptor",
          "1 6 cation",
          "1 7 cation",
          "3 17 22 23 hydrophobe",
          "6 19 26 27 29 30 31 rings",
          "6 3 8 10 18 20 21 rings",
          "6 34 35 36 37 38 39 rings",
          "6 6 7 13 14 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      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
    }
  }
}