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              117,
              12,
              87,
              8,
              9,
              86,
              100,
              91,
              104,
              29,
              49,
              119,
              74,
              88,
              68,
              28,
              54
            }
          }
        }
      }
    },
    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 {
          "30",
          "1 -0.57",
          "19 0.69",
          "2 -0.36",
          "20 0.12",
          "21 -0.15",
          "22 -0.15",
          "23 0.08",
          "24 -0.15",
          "25 -0.15",
          "26 0.27",
          "27 0.27",
          "28 0.27",
          "29 0.3",
          "3 -0.43",
          "30 0.3",
          "31 0.28",
          "35 0.78",
          "36 0.28",
          "4 -0.57",
          "5 -0.73",
          "55 0.37",
          "56 0.37",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.55",
          "60 0.15",
          "7 -0.81",
          "8 -0.66",
          "9 0.3"
        }
      },
      {
        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 { 164, 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 1 acceptor",
          "1 2 acceptor",
          "1 4 acceptor",
          "1 5 donor",
          "1 6 donor",
          "1 7 cation",
          "4 36 37 38 39 hydrophobe",
          "6 10 11 12 16 17 18 rings",
          "6 20 21 22 23 24 25 rings",
          "6 7 8 26 27 29 30 rings",
          "6 9 10 11 13 14 16 rings",
          "6 9 10 12 13 15 17 rings",
          "6 9 11 12 14 15 18 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}