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              135,
              131,
              70,
              160,
              27,
              66,
              125,
              69,
              96,
              49,
              202,
              265,
              78,
              165,
              72,
              281,
              60,
              93,
              199,
              133,
              116,
              269,
              28,
              149,
              6,
              206,
              129,
              36,
              153,
              99,
              98,
              258,
              16,
              157,
              139,
              102,
              178,
              226,
              230,
              200,
              189,
              155,
              170,
              166,
              194,
              34,
              252,
              267,
              254,
              201,
              167,
              103,
              40,
              180,
              10,
              115,
              266,
              132,
              89,
              249,
              146,
              88,
              141,
              250,
              31,
              143,
              195,
              238,
              37,
              275,
              158,
              7,
              171,
              33,
              12,
              272,
              270,
              64,
              62,
              101,
              245,
              247,
              212,
              151,
              76,
              276,
              126,
              279,
              38,
              41,
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              108,
              5,
              239,
              197,
              106,
              30,
              179,
              261,
              25,
              214,
              39,
              14,
              240,
              244,
              262,
              67,
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              243,
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              120,
              192,
              182,
              263,
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              213,
              29,
              58,
              22,
              216,
              196,
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              223,
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              97,
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              234,
              142,
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              256,
              23,
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              259,
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              274,
              21,
              71,
              26,
              173,
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              224,
              232,
              124,
              61,
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              57,
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              2,
              148,
              43,
              55,
              251,
              8,
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              217,
              207,
              241,
              104,
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            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "41",
          "1 -0.18",
          "12 0.28",
          "13 0.27",
          "14 0.27",
          "15 0.27",
          "16 0.42",
          "2 -0.18",
          "20 0.3",
          "21 -0.14",
          "22 0.3",
          "23 0.28",
          "24 0.55",
          "25 -0.15",
          "26 -0.15",
          "27 0.57",
          "28 0.2",
          "29 0.18",
          "3 -0.56",
          "30 -0.15",
          "31 0.18",
          "32 0.27",
          "33 0.27",
          "34 -0.14",
          "35 -0.15",
          "36 -0.15",
          "37 -0.14",
          "38 -0.14",
          "39 -0.15",
          "4 -0.56",
          "40 0.14",
          "41 0.14",
          "5 -0.57",
          "6 -0.81",
          "69 0.15",
          "7 -0.66",
          "70 0.15",
          "73 0.15",
          "8 -0.81",
          "80 0.15",
          "81 0.15",
          "82 0.15"
        }
      },
      {
        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 { 134, 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 {
          "10",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 8 cation",
          "3 12 18 19 hydrophobe",
          "6 21 25 26 29 30 31 rings",
          "6 34 35 36 37 38 39 rings",
          "6 4 7 16 20 22 23 rings",
          "6 6 9 10 11 13 14 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      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
    }
  }
}