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              134,
              24,
              102,
              20,
              42,
              70,
              93,
              57,
              13,
              74,
              217,
              30
            }
          }
        }
      }
    },
    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 {
          "51",
          "1 -0.68",
          "10 -0.18",
          "13 0.45",
          "14 -0.33",
          "15 0.3",
          "16 0.3",
          "18 0.41",
          "19 -0.15",
          "2 -0.57",
          "20 0.28",
          "21 -0.15",
          "22 0.57",
          "23 -0.15",
          "24 -0.14",
          "25 -0.15",
          "26 0.2",
          "27 0.08",
          "28 -0.15",
          "29 -0.15",
          "3 -0.36",
          "30 -0.14",
          "31 -0.15",
          "32 -0.15",
          "33 0.08",
          "34 -0.15",
          "35 -0.15",
          "36 0.28",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.36",
          "40 0.28",
          "5 -0.81",
          "52 0.27",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.66",
          "62 0.4",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "7 0.03",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "8 0.18",
          "9 0.27"
        }
      },
      {
        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 { 96, 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 {
          "14",
          "1 1 acceptor",
          "1 1 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "1 7 cation",
          "1 7 donor",
          "5 7 10 14 17 19 rings",
          "6 17 19 21 23 25 27 rings",
          "6 24 28 29 31 32 33 rings",
          "6 30 34 35 37 38 39 rings",
          "6 5 8 9 10 13 14 rings",
          "6 6 8 11 12 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}