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              44,
              149,
              123,
              209,
              141,
              86,
              54,
              144,
              136,
              46,
              18,
              158,
              24,
              180,
              154,
              31,
              38,
              130,
              67,
              218,
              221,
              91,
              40,
              161,
              132,
              120,
              68,
              85,
              186,
              100,
              235,
              105,
              52,
              222,
              126,
              51,
              36,
              162,
              57,
              182,
              108,
              210,
              70,
              35,
              9,
              32,
              64,
              60,
              73,
              65,
              15,
              61,
              45,
              138,
              157,
              6,
              165,
              72,
              33,
              27,
              56,
              19,
              82,
              88,
              16,
              53,
              20,
              128,
              145,
              25,
              87,
              184,
              58,
              223,
              39,
              142,
              94,
              30,
              110,
              96,
              23,
              48,
              135,
              34,
              111,
              14,
              37,
              112,
              47,
              166,
              225,
              89,
              140,
              76,
              71,
              74,
              12,
              201,
              50,
              129,
              7,
              8,
              3,
              101,
              55,
              84,
              22,
              5,
              17,
              2,
              28,
              21,
              99
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "55",
          "1 1.45",
          "10 -0.85",
          "11 -0.55",
          "12 0.05",
          "14 0.28",
          "15 0.3",
          "16 0.36",
          "17 0.3",
          "19 0.54",
          "2 -0.19",
          "20 0.08",
          "21 0.09",
          "22 0.28",
          "24 0.36",
          "25 -0.15",
          "26 -0.15",
          "27 0.12",
          "28 -0.01",
          "29 -0.15",
          "3 -0.36",
          "30 -0.15",
          "31 -0.15",
          "32 0.24",
          "33 -0.18",
          "34 0.57",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.3",
          "4 -0.57",
          "40 0.19",
          "41 -0.15",
          "42 -0.15",
          "43 0.26",
          "44 -0.15",
          "45 -0.15",
          "5 -0.68",
          "6 -0.65",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.4",
          "68 0.37",
          "69 0.15",
          "7 -0.65",
          "70 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "8 -0.57",
          "81 0.15",
          "82 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 { 11, 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 11 donor",
          "1 12 cation",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "5 12 33 35 36 39 rings",
          "6 20 21 25 26 27 29 rings",
          "6 28 30 31 37 38 40 rings",
          "6 35 36 41 42 44 45 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}