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              9,
              12,
              8,
              7,
              63,
              14,
              115,
              36,
              21,
              89,
              39,
              118,
              110,
              29,
              140,
              16,
              98,
              95,
              108,
              26,
              18,
              83,
              11,
              156,
              70,
              5
            }
          }
        }
      }
    },
    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 {
          "39",
          "1 -0.34",
          "10 -0.62",
          "11 0.27",
          "14 0.27",
          "15 0.27",
          "16 0.27",
          "17 0.27",
          "18 0.3",
          "19 0.3",
          "2 -0.34",
          "21 0.41",
          "23 0.28",
          "24 0.54",
          "25 -0.14",
          "26 0.09",
          "27 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.34",
          "30 -0.15",
          "31 0.17",
          "32 0.17",
          "33 -0.14",
          "34 0.28",
          "35 0.14",
          "36 0.14",
          "37 1.16",
          "38 0.47",
          "4 -0.56",
          "5 -0.57",
          "6 -0.81",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "7 -0.81",
          "76 0.15",
          "8 -0.66",
          "9 -0.62"
        }
      },
      {
        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 { 104, 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 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 7 cation",
          "1 9 acceptor",
          "3 9 10 38 cation",
          "6 25 27 28 29 30 33 rings",
          "6 6 7 14 15 16 17 rings",
          "6 8 11 12 13 18 19 rings",
          "6 9 10 26 31 32 38 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 9,
      covalent-unit 1,
      tautomers 1
    }
  }
}