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              84,
              11,
              46,
              61,
              91,
              55,
              14,
              86,
              6,
              12,
              29,
              139,
              114,
              106,
              79,
              10,
              138,
              57,
              104,
              53,
              17,
              76,
              9,
              87
            }
          }
        }
      }
    },
    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 {
          "53",
          "1 -0.36",
          "10 -0.62",
          "11 0.27",
          "12 0.27",
          "13 0.37",
          "14 0.37",
          "15 0.27",
          "16 0.37",
          "17 0.37",
          "18 0.37",
          "19 0.37",
          "2 -0.36",
          "20 0.14",
          "21 0.41",
          "22 0.1",
          "23 0.48",
          "25 0.1",
          "26 0.31",
          "27 0.08",
          "28 -0.15",
          "29 -0.15",
          "3 -0.36",
          "30 0.08",
          "31 -0.15",
          "32 -0.15",
          "33 0.08",
          "34 -0.15",
          "35 0.08",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.36",
          "40 -0.15",
          "41 0.28",
          "42 0.28",
          "43 0.28",
          "44 0.28",
          "5 -0.81",
          "6 -0.84",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.84",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "8 -0.84",
          "9 -0.62"
        }
      },
      {
        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 { 124, 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 {
          "15",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "1 6 cation",
          "1 8 cation",
          "3 7 9 21 cation",
          "3 9 10 23 cation",
          "6 22 27 28 34 36 39 rings",
          "6 24 26 29 32 33 35 rings",
          "6 25 30 31 37 38 40 rings",
          "6 5 6 11 12 13 14 rings",
          "6 7 8 16 17 18 19 rings",
          "6 9 10 21 23 24 26 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}