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              47,
              30,
              84
            }
          }
        }
      }
    },
    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 {
          "40",
          "1 1.2",
          "10 -0.76",
          "11 0.27",
          "12 0.27",
          "13 0.27",
          "16 0.37",
          "17 0.37",
          "2 1.33",
          "22 0.1",
          "23 0.06",
          "25 -0.15",
          "26 -0.15",
          "27 0.42",
          "28 -0.15",
          "29 -0.15",
          "3 -0.57",
          "30 0.09",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 0.2",
          "35 -0.01",
          "36 -0.15",
          "37 0.11",
          "38 0.11",
          "4 -0.65",
          "5 -0.65",
          "6 -0.65",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.65",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.42",
          "8 -0.81",
          "9 -0.84"
        }
      },
      {
        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 {
          "13",
          "1 10 donor",
          "1 24 hydrophobe",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 cation",
          "1 9 cation",
          "4 14 18 20 23 hydrophobe",
          "6 22 25 26 28 29 31 rings",
          "6 30 32 33 34 35 36 rings",
          "6 8 9 12 13 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}