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              20,
              111,
              29,
              109,
              12,
              75,
              65,
              179,
              1,
              2,
              3,
              9,
              25,
              4
            }
          }
        }
      }
    },
    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 {
          "41",
          "1 -0.18",
          "12 0.27",
          "13 0.27",
          "14 0.42",
          "15 0.27",
          "18 0.3",
          "19 0.06",
          "2 -0.18",
          "20 -0.14",
          "21 0.3",
          "22 0.28",
          "24 0.57",
          "25 0.57",
          "26 -0.15",
          "27 -0.15",
          "28 0.2",
          "29 0.18",
          "3 -0.56",
          "30 -0.15",
          "31 0.18",
          "32 -0.14",
          "33 -0.15",
          "34 -0.15",
          "35 -0.14",
          "36 -0.14",
          "37 -0.15",
          "38 0.14",
          "39 0.14",
          "4 -0.57",
          "5 -0.57",
          "6 -0.81",
          "65 0.15",
          "66 0.15",
          "69 0.15",
          "7 -0.66",
          "70 0.37",
          "71 0.37",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "8 -0.8"
        }
      },
      {
        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 {
          "10",
          "1 23 hydrophobe",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 8 donor",
          "6 20 26 27 29 30 31 rings",
          "6 3 7 14 18 21 22 rings",
          "6 32 33 34 35 36 37 rings",
          "6 6 9 10 11 12 13 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 2,
      atom-chiral-def 0,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}