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              109,
              96,
              75,
              40,
              112,
              42,
              10,
              125,
              8,
              11
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "57",
          "1 -0.23",
          "10 -0.73",
          "11 -0.73",
          "12 -0.73",
          "13 -0.73",
          "14 -0.99",
          "15 0.23",
          "16 0.23",
          "17 0.36",
          "18 0.36",
          "2 -0.23",
          "23 0.57",
          "24 0.36",
          "25 0.57",
          "26 0.66",
          "27 0.57",
          "28 0.33",
          "29 0.14",
          "3 -0.57",
          "30 0.36",
          "31 0.14",
          "32 0.57",
          "33 -0.14",
          "34 -0.14",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.65",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 0.08",
          "5 -0.57",
          "59 0.37",
          "6 -0.57",
          "60 0.37",
          "65 0.37",
          "68 0.37",
          "7 -0.57",
          "71 0.36",
          "72 0.36",
          "73 0.5",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.57",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.45",
          "9 -0.53"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 102, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "18",
          "1 10 donor",
          "1 11 donor",
          "1 12 donor",
          "1 13 donor",
          "1 14 cation",
          "1 14 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 donor",
          "3 15 19 20 hydrophobe",
          "3 16 21 22 hydrophobe",
          "3 4 6 26 anion",
          "6 33 35 36 39 40 41 rings",
          "6 34 37 38 42 43 44 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 32
    }
  }
}