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              16,
              26,
              15
            }
          }
        }
      }
    },
    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 {
          "42",
          "1 -0.14",
          "10 0.3",
          "11 0.1",
          "16 0.35",
          "17 0.37",
          "19 -0.14",
          "2 -0.04",
          "20 -0.15",
          "21 0.14",
          "22 0.14",
          "23 -0.14",
          "24 -0.14",
          "25 -0.15",
          "26 -0.15",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 0.14",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "4 0.2",
          "5 0.28",
          "6 0.32",
          "60 0.15",
          "61 0.15",
          "66 0.15",
          "67 0.15",
          "7 -0.04",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "79 0.15",
          "8 -0.14",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "9 -0.14"
        }
      },
      {
        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 { 102, 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 3 cation",
          "1 41 hydrophobe",
          "1 42 hydrophobe",
          "3 4 12 13 hydrophobe",
          "3 5 14 15 hydrophobe",
          "5 2 4 6 8 10 rings",
          "5 3 5 7 9 11 rings",
          "6 18 21 22 23 24 33 rings",
          "6 8 10 25 29 35 37 rings",
          "6 9 11 26 30 36 38 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 3,
      bond-chiral-def 3,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}