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              228,
              65,
              293,
              187,
              71,
              51,
              193,
              188,
              122,
              140,
              221,
              47,
              78,
              107,
              244,
              223,
              288,
              68,
              231,
              263,
              66,
              203,
              169,
              327,
              298,
              120,
              258,
              98,
              115,
              54,
              262,
              208,
              112,
              285,
              234,
              303,
              266,
              212,
              276,
              247,
              52,
              144,
              184,
              257,
              106,
              274,
              239,
              153,
              165,
              250,
              236,
              137,
              229,
              174,
              121,
              332,
              237,
              17,
              45,
              291,
              198,
              77,
              123,
              108,
              152,
              32,
              57,
              85,
              164,
              166,
              178,
              294,
              113,
              241,
              167,
              289,
              62,
              46,
              73,
              133,
              83,
              206,
              36,
              33,
              150,
              317,
              49,
              246,
              329,
              31,
              79,
              39,
              147,
              296,
              201,
              173,
              40,
              41,
              94,
              19,
              50,
              16,
              87,
              232,
              240,
              324,
              61,
              304,
              110,
              21,
              89,
              268,
              18,
              226,
              48,
              160,
              29,
              135,
              15
            }
          }
        }
      }
    },
    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 {
          "57",
          "1 -0.08",
          "10 -0.57",
          "11 0.42",
          "12 0.06",
          "13 -0.14",
          "14 0.3",
          "15 0.09",
          "16 -0.15",
          "17 -0.15",
          "18 0.08",
          "19 0.08",
          "2 -0.22",
          "20 -0.15",
          "21 -0.15",
          "22 -0.15",
          "23 0.08",
          "24 0.08",
          "25 0.28",
          "26 0.08",
          "28 0.28",
          "29 0.08",
          "3 -0.36",
          "30 0.28",
          "31 0.05",
          "32 0.28",
          "33 0.28",
          "34 -0.15",
          "35 -0.15",
          "36 0.33",
          "37 -0.15",
          "38 -0.15",
          "39 0.28",
          "4 -0.36",
          "40 0.04",
          "41 0.23",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 -0.15",
          "49 0.15",
          "5 -0.36",
          "50 0.15",
          "51 0.15",
          "52 0.15",
          "53 0.15",
          "6 -0.36",
          "63 0.15",
          "64 0.15",
          "7 -0.36",
          "71 0.15",
          "72 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.36",
          "9 -0.51"
        }
      },
      {
        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 { 136, 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 {
          "14",
          "1 10 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "5 1 10 36 40 41 rings",
          "5 2 9 11 12 14 rings",
          "6 13 16 17 18 19 20 rings",
          "6 15 21 22 23 24 26 rings",
          "6 29 31 34 35 37 38 rings",
          "6 40 41 42 43 44 45 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      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
    }
  }
}