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              147,
              205,
              100,
              51,
              173,
              247,
              246,
              142,
              45,
              228,
              104,
              241,
              160,
              46,
              47,
              178,
              72,
              285,
              273,
              229,
              146,
              71,
              101,
              86,
              174,
              289,
              275,
              154,
              60,
              217,
              190,
              42,
              183,
              162,
              7,
              83,
              151,
              40,
              75,
              95,
              237,
              156,
              242,
              175,
              286,
              213,
              54,
              121,
              22,
              98,
              49,
              157,
              18,
              82,
              140,
              167,
              118,
              200,
              283,
              38,
              186,
              295,
              124,
              5,
              280,
              212,
              53,
              55,
              27,
              171,
              87,
              89
            }
          }
        }
      }
    },
    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 {
          "47",
          "1 -0.18",
          "12 0.27",
          "13 0.27",
          "14 0.27",
          "15 -0.14",
          "16 0.28",
          "17 0.28",
          "19 0.3",
          "2 -0.18",
          "21 0.3",
          "22 -0.15",
          "23 -0.15",
          "24 0.66",
          "25 0.54",
          "26 -0.15",
          "27 -0.15",
          "28 0.06",
          "29 -0.15",
          "3 -0.43",
          "30 0.09",
          "32 -0.15",
          "33 -0.15",
          "35 -0.15",
          "36 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.56",
          "40 0.18",
          "41 -0.15",
          "42 0.18",
          "5 -0.57",
          "6 -0.57",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "7 -0.81",
          "70 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.66",
          "80 0.15",
          "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 { 134, 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 31 hydrophobe",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 cation",
          "6 15 22 23 26 27 29 rings",
          "6 30 32 33 34 35 36 rings",
          "6 37 38 39 40 41 42 rings",
          "6 7 9 10 11 12 13 rings",
          "6 8 16 18 19 20 21 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      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
    }
  }
}