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              24,
              146,
              126,
              147,
              108,
              65,
              13,
              116,
              91,
              45,
              17,
              29,
              68,
              154,
              46,
              102,
              66,
              127,
              117,
              31,
              77,
              177,
              95,
              25,
              22,
              155,
              27,
              180,
              94,
              42,
              134,
              81,
              98,
              119,
              14,
              74,
              171,
              49,
              6,
              72,
              52,
              20,
              63,
              113,
              151,
              161,
              159,
              176,
              36,
              164,
              110,
              78,
              114,
              115,
              133,
              109,
              174,
              58,
              11,
              170,
              4,
              37,
              15,
              166,
              104,
              3,
              47,
              175,
              138,
              85,
              61,
              48,
              59,
              9,
              163,
              12,
              32,
              73,
              86,
              19,
              101,
              54,
              107
            }
          }
        }
      }
    },
    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 0.33",
          "13 0.27",
          "14 0.27",
          "18 0.27",
          "19 0.27",
          "2 -0.18",
          "20 0.57",
          "21 0.27",
          "22 0.42",
          "24 0.3",
          "25 -0.14",
          "26 0.3",
          "27 0.28",
          "28 -0.15",
          "29 -0.15",
          "3 -0.56",
          "30 0.57",
          "31 0.2",
          "32 0.18",
          "33 -0.15",
          "34 0.18",
          "35 -0.14",
          "36 -0.15",
          "37 -0.15",
          "38 -0.14",
          "39 -0.14",
          "4 -0.57",
          "40 -0.15",
          "41 0.14",
          "42 0.14",
          "5 -0.57",
          "6 -0.81",
          "67 0.37",
          "68 0.37",
          "7 -0.81",
          "73 0.15",
          "74 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.66",
          "80 0.15",
          "9 -0.8"
        }
      },
      {
        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 9 donor",
          "6 10 11 12 15 16 17 rings",
          "6 25 28 29 32 33 34 rings",
          "6 3 8 22 24 26 27 rings",
          "6 35 36 37 38 39 40 rings",
          "6 6 7 13 14 18 19 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      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
    }
  }
}