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              87,
              177,
              369,
              292,
              384,
              10,
              303,
              387,
              67,
              281,
              376,
              450,
              5,
              56,
              159,
              123,
              154,
              95,
              8,
              89,
              174,
              391,
              49,
              233,
              316,
              18,
              287,
              421,
              239,
              259,
              53,
              243,
              94,
              362,
              165,
              209,
              208,
              435,
              311,
              455,
              442,
              80,
              68,
              64,
              310,
              244,
              240,
              253,
              15,
              136,
              340,
              101,
              16,
              247,
              63,
              470,
              399,
              133,
              298,
              55,
              47,
              327,
              268,
              142,
              252,
              323,
              396,
              162,
              205,
              144,
              36,
              9,
              312,
              121,
              152,
              156,
              163,
              324,
              92,
              172,
              75,
              433,
              337,
              459,
              11,
              114,
              260,
              118,
              212,
              38,
              65,
              404,
              419,
              215,
              230,
              225,
              128,
              345,
              294,
              111,
              42,
              211,
              48,
              81,
              196,
              426,
              216,
              432,
              54,
              293,
              286,
              149,
              325,
              140,
              254,
              235,
              3,
              444,
              275,
              429,
              173,
              141,
              32,
              189,
              200,
              4,
              201,
              305,
              26,
              132,
              273,
              46,
              218,
              416,
              223,
              207,
              237,
              242,
              187,
              39,
              280,
              30,
              108,
              377,
              79,
              175,
              61,
              339,
              113,
              439,
              290,
              66,
              307,
              125,
              192,
              130,
              270,
              414,
              24
            }
          }
        }
      }
    },
    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 {
          "46",
          "1 -0.18",
          "11 0.14",
          "12 0.27",
          "13 0.27",
          "14 0.27",
          "17 0.3",
          "18 -0.14",
          "19 0.3",
          "2 -0.18",
          "20 -0.14",
          "21 0.28",
          "22 -0.15",
          "23 -0.15",
          "24 0.54",
          "25 -0.15",
          "26 -0.15",
          "27 0.18",
          "28 -0.15",
          "29 0.09",
          "3 -0.19",
          "30 -0.15",
          "31 -0.15",
          "32 0.18",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 0.19",
          "37 -0.15",
          "38 0.19",
          "4 -0.19",
          "5 -0.56",
          "58 0.15",
          "59 0.15",
          "6 -0.57",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "7 -0.81",
          "8 -0.66",
          "9 0.42"
        }
      },
      {
        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 {
          "8",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 cation",
          "6 18 22 23 27 28 32 rings",
          "6 20 25 26 30 31 33 rings",
          "6 29 34 35 36 37 38 rings",
          "6 5 8 9 17 19 21 rings",
          "6 7 11 13 14 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      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 1
    }
  }
}