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              148,
              230,
              75,
              92,
              213,
              24,
              54,
              96,
              26,
              227,
              19,
              216,
              27,
              208,
              198,
              108,
              157,
              231,
              40,
              172,
              12,
              128,
              204,
              162,
              20,
              15,
              36,
              22
            }
          }
        }
      }
    },
    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 {
          "58",
          "1 -0.34",
          "10 -0.57",
          "11 -0.47",
          "12 -0.73",
          "13 0.2",
          "15 0.28",
          "16 -0.03",
          "17 0.06",
          "18 0.57",
          "19 0.42",
          "2 -0.34",
          "20 -0.29",
          "21 0.66",
          "22 0.06",
          "24 0.48",
          "25 0.28",
          "26 0.57",
          "27 -0.04",
          "28 0.28",
          "29 -0.15",
          "3 -0.34",
          "30 0.42",
          "31 0.44",
          "32 -0.15",
          "33 -0.01",
          "34 -0.14",
          "35 -0.14",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.56",
          "40 -0.14",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 -0.15",
          "46 1.16",
          "5 -0.43",
          "52 0.15",
          "6 -0.57",
          "62 0.37",
          "66 0.15",
          "7 -0.57",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.56",
          "80 0.15",
          "81 0.15",
          "9 -0.28"
        }
      },
      {
        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 { 152, 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 {
          "12",
          "1 10 acceptor",
          "1 12 donor",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "5 9 27 29 32 33 rings",
          "6 11 13 14 16 17 18 rings",
          "6 34 37 38 42 43 45 rings",
          "6 35 36 39 40 41 44 rings",
          "6 4 13 15 16 19 20 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}