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              21,
              31,
              211,
              192,
              40,
              110,
              45,
              126,
              148,
              190,
              165,
              32,
              111,
              142,
              75,
              17,
              4,
              47,
              167,
              22,
              8,
              33,
              152
            }
          }
        }
      }
    },
    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 {
          "43",
          "1 -0.56",
          "10 0.2",
          "12 0.28",
          "13 -0.03",
          "14 0.06",
          "15 0.42",
          "17 -0.29",
          "18 0.57",
          "19 0.66",
          "2 -0.43",
          "21 0.06",
          "22 0.48",
          "26 0.57",
          "27 -0.04",
          "28 0.28",
          "29 -0.15",
          "3 -0.57",
          "30 0.3",
          "31 -0.15",
          "32 -0.01",
          "33 0.14",
          "34 -0.14",
          "35 0.08",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 0.28",
          "46 0.15",
          "5 -0.28",
          "6 -0.57",
          "63 0.37",
          "67 0.15",
          "7 -0.36",
          "70 0.15",
          "71 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "8 -0.47",
          "9 -0.73"
        }
      },
      {
        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 { 132, 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 1 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 9 donor",
          "4 16 23 24 25 hydrophobe",
          "5 5 27 29 31 32 rings",
          "6 1 10 12 13 15 17 rings",
          "6 34 35 36 37 38 39 rings",
          "6 8 10 11 13 14 18 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      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
    }
  }
}