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              230,
              300,
              138,
              10,
              84,
              307,
              239,
              195,
              326,
              197,
              33,
              23,
              109,
              91,
              112,
              157,
              299,
              276,
              189,
              282,
              85,
              183,
              121,
              82,
              128,
              21,
              306,
              252,
              278,
              188,
              304,
              211,
              234,
              245,
              186,
              102,
              46,
              182,
              215,
              279,
              97,
              88,
              8,
              305,
              301,
              150,
              133,
              73,
              118,
              141,
              228,
              53,
              139,
              96,
              103,
              77,
              114,
              225,
              271,
              56,
              293,
              312,
              318,
              323,
              268,
              122,
              243,
              24,
              290,
              289,
              66,
              196,
              184,
              258,
              57,
              220,
              308,
              42,
              47,
              99,
              44,
              39,
              284,
              59,
              71,
              123,
              263,
              281,
              203,
              113,
              9,
              16,
              297,
              154,
              310,
              29,
              58,
              275,
              119,
              127,
              165,
              64,
              48,
              25,
              169,
              124,
              63,
              191,
              330,
              192,
              14,
              132,
              18,
              194,
              259,
              93,
              161,
              35,
              327,
              52,
              314,
              20,
              328,
              237,
              231,
              98,
              120,
              111,
              43,
              236,
              51,
              36,
              174,
              90,
              223,
              62,
              89,
              200,
              219,
              285,
              136,
              55,
              153,
              319,
              30,
              131,
              181,
              37,
              110,
              135,
              95,
              266,
              19,
              126,
              179,
              232,
              45,
              40,
              2,
              54,
              101,
              137,
              60,
              187,
              250,
              17,
              160,
              7,
              83,
              105,
              26,
              13,
              6,
              145,
              38,
              32,
              311,
              68,
              61,
              4,
              146,
              264
            }
          }
        }
      }
    },
    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 {
          "43",
          "1 -0.18",
          "10 0.33",
          "13 0.27",
          "14 0.27",
          "15 0.27",
          "16 0.27",
          "17 0.57",
          "18 0.27",
          "2 -0.18",
          "23 0.42",
          "24 0.3",
          "25 -0.14",
          "26 0.28",
          "27 0.3",
          "28 0.3",
          "29 0.3",
          "3 -0.56",
          "30 -0.15",
          "31 -0.15",
          "32 0.54",
          "33 0.18",
          "34 -0.15",
          "35 0.09",
          "36 0.18",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "5 -0.57",
          "6 -0.81",
          "7 -0.81",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.66",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "9 -0.66"
        }
      },
      {
        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 { 126, 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 {
          "10",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 7 cation",
          "6 25 30 31 33 34 36 rings",
          "6 3 9 23 24 26 27 rings",
          "6 35 37 38 39 40 41 rings",
          "6 6 15 16 19 20 22 rings",
          "6 7 10 11 12 13 14 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}