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              82,
              42,
              101,
              58,
              140,
              54,
              59,
              56,
              108,
              181,
              187,
              33,
              92,
              167,
              65,
              122,
              153,
              41,
              19,
              48,
              144,
              23,
              3,
              71,
              164,
              159,
              91,
              83,
              185,
              189,
              118,
              154,
              75,
              172,
              32,
              6,
              124,
              123,
              179,
              103,
              90,
              177,
              49,
              77,
              127,
              69,
              125,
              9,
              150,
              186,
              36,
              55,
              128,
              64,
              29,
              156,
              171,
              182,
              14,
              137,
              11,
              39,
              46,
              165,
              34,
              151,
              114,
              22,
              63,
              148,
              47,
              80,
              115,
              88,
              142,
              18,
              17,
              62,
              73,
              7,
              139,
              43,
              5,
              116,
              28,
              8,
              147,
              70,
              173,
              37,
              111,
              51,
              27,
              176,
              26,
              85,
              117,
              113,
              161,
              60,
              190,
              81,
              138,
              175,
              119,
              67,
              53,
              170,
              66,
              126,
              78,
              129,
              25,
              168,
              178,
              96,
              13,
              194,
              146,
              52,
              106,
              57,
              61,
              135,
              152,
              109,
              79,
              40,
              183,
              87,
              166,
              180,
              136,
              160,
              98
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "37",
          "1 -0.68",
          "10 0.28",
          "14 0.06",
          "15 0.28",
          "16 0.14",
          "2 -0.68",
          "27 0.33",
          "28 0.28",
          "29 -0.28",
          "3 -0.68",
          "30 0.42",
          "31 -0.14",
          "32 0.71",
          "33 0.54",
          "34 0.09",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 0.08",
          "4 -0.43",
          "40 0.28",
          "5 -0.57",
          "6 -0.57",
          "65 0.06",
          "67 0.4",
          "68 0.4",
          "7 -0.36",
          "71 0.15",
          "72 0.4",
          "73 0.37",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "8 -0.51",
          "9 -0.37"
        }
      },
      {
        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 { 86, 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 {
          "17",
          "1 1 acceptor",
          "1 1 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 3 donor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 donor",
          "5 10 12 16 19 22 rings",
          "5 4 29 30 31 32 rings",
          "6 10 11 12 13 17 18 rings",
          "6 11 13 14 15 20 21 rings",
          "6 14 15 23 25 26 28 rings",
          "6 34 35 36 37 38 39 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 8,
      atom-chiral-def 3,
      atom-chiral-undef 5,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}