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              48,
              94,
              153,
              36,
              149,
              147,
              186,
              38,
              56,
              66,
              210,
              173,
              84,
              204,
              178,
              230,
              12,
              247,
              197,
              205,
              110,
              53,
              175,
              8,
              171,
              207,
              83,
              18,
              72,
              218,
              17,
              70,
              116,
              154,
              11,
              248,
              200,
              117,
              141,
              68,
              97,
              199,
              90,
              39,
              128,
              75,
              255,
              242,
              112,
              224,
              244,
              120,
              133,
              206,
              9,
              29,
              185,
              217,
              148,
              100,
              111,
              60,
              102,
              163,
              188,
              250,
              67,
              7,
              14,
              62,
              138,
              252,
              240,
              45,
              167,
              115,
              203,
              99,
              1,
              123,
              101,
              63,
              87,
              5,
              31,
              156,
              47,
              52,
              245,
              172,
              209,
              174,
              146,
              13,
              22,
              3,
              233,
              4,
              51,
              158,
              27,
              86,
              208,
              187,
              20,
              152,
              30,
              6,
              32,
              41,
              58,
              42,
              182,
              127,
              57,
              71,
              184,
              16,
              164,
              254,
              114,
              24,
              137,
              95,
              136,
              82,
              93,
              132,
              96,
              169,
              142,
              64,
              23,
              98,
              134,
              109,
              85,
              65,
              107,
              88,
              46,
              92,
              78,
              69,
              216,
              162,
              26,
              135,
              177,
              211,
              43,
              50,
              191,
              166
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "60",
          "1 -0.56",
          "10 -0.68",
          "11 -0.68",
          "12 -0.68",
          "13 -0.16",
          "14 -0.53",
          "15 -0.57",
          "16 -0.53",
          "17 -0.53",
          "18 0.28",
          "19 0.28",
          "2 -0.56",
          "20 0.28",
          "21 0.28",
          "22 0.28",
          "23 0.28",
          "24 0.28",
          "25 0.28",
          "26 0.56",
          "27 0.56",
          "28 0.28",
          "29 0.28",
          "3 -0.36",
          "30 0.09",
          "31 0.08",
          "32 0.05",
          "33 0.03",
          "34 0.47",
          "35 0.08",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 0.09",
          "4 -0.68",
          "40 0.08",
          "41 0.08",
          "42 -0.15",
          "43 -0.15",
          "44 0.08",
          "5 -0.68",
          "59 0.4",
          "6 -0.36",
          "60 0.4",
          "61 0.4",
          "62 0.4",
          "63 0.4",
          "64 0.4",
          "65 0.4",
          "66 0.4",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.68",
          "70 0.15",
          "71 0.45",
          "72 0.15",
          "73 0.45",
          "74 0.45",
          "8 -0.68",
          "9 -0.68"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "2.3.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value fval { 94, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "2.0.4",
          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "30",
          "1 1 acceptor",
          "1 10 acceptor",
          "1 10 donor",
          "1 11 acceptor",
          "1 11 donor",
          "1 12 acceptor",
          "1 12 donor",
          "1 13 acceptor",
          "1 14 donor",
          "1 15 acceptor",
          "1 16 donor",
          "1 17 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "1 9 donor",
          "6 1 18 19 20 23 26 rings",
          "6 13 30 32 34 39 40 rings",
          "6 2 21 22 24 25 27 rings",
          "6 31 33 35 36 37 38 rings",
          "6 39 40 41 42 43 44 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 10,
      atom-chiral-def 10,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 36
    }
  }
}