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              39,
              48,
              12,
              173,
              154,
              57,
              160,
              35,
              152,
              187,
              177,
              195,
              52,
              139,
              132,
              142,
              161,
              22,
              123,
              76,
              30,
              124,
              106,
              20,
              115,
              102,
              133,
              10,
              97,
              137,
              79,
              147,
              153,
              80,
              189,
              96,
              11,
              19,
              7,
              93,
              193,
              191,
              162,
              91,
              9,
              92,
              118,
              126,
              17,
              121,
              176,
              148,
              18,
              42,
              88,
              157,
              166,
              33,
              101,
              58,
              182,
              61,
              55,
              110,
              14,
              155,
              174,
              117,
              84,
              51,
              113,
              134,
              144,
              136,
              181,
              114,
              128,
              64,
              8,
              171,
              50,
              3,
              59,
              85,
              100,
              28,
              27,
              74,
              78,
              45,
              21,
              75,
              25,
              122,
              103,
              29,
              170,
              180,
              90,
              38,
              120,
              40,
              145,
              87,
              15,
              54,
              68,
              111,
              127,
              13,
              108,
              47,
              82,
              73,
              95,
              60,
              192,
              116,
              194,
              67,
              6,
              5,
              165,
              188
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "43",
          "1 -0.68",
          "10 0.14",
          "11 0.45",
          "14 0.2",
          "15 -0.28",
          "17 -0.29",
          "18 0.14",
          "19 -0.14",
          "2 -0.57",
          "20 -0.14",
          "21 0.14",
          "22 0.14",
          "23 -0.15",
          "24 0.42",
          "25 0.14",
          "26 0.14",
          "27 -0.29",
          "28 0.71",
          "29 -0.29",
          "3 -0.43",
          "30 -0.29",
          "32 -0.29",
          "34 -0.14",
          "35 -0.15",
          "36 -0.14",
          "37 0.71",
          "38 0.14",
          "4 -0.65",
          "5 -0.57",
          "51 0.4",
          "55 0.15",
          "59 0.15",
          "6 -0.57",
          "63 0.15",
          "69 0.15",
          "7 0.28",
          "70 0.15",
          "71 0.15",
          "75 0.15",
          "79 0.15",
          "80 0.15",
          "84 0.5",
          "9 0.06"
        }
      },
      {
        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 { 146, 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 {
          "16",
          "1 1 acceptor",
          "1 1 donor",
          "1 12 hydrophobe",
          "1 13 hydrophobe",
          "1 16 hydrophobe",
          "1 18 hydrophobe",
          "1 2 acceptor",
          "1 26 hydrophobe",
          "1 33 hydrophobe",
          "1 38 hydrophobe",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "3 4 5 28 anion",
          "4 22 25 27 29 hydrophobe",
          "6 3 21 24 32 36 37 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 7,
      atom-chiral-def 7,
      atom-chiral-undef 0,
      bond-chiral 5,
      bond-chiral-def 0,
      bond-chiral-undef 5,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 7
    }
  }
}