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            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "44",
          "1 -0.18",
          "10 -0.73",
          "11 -0.66",
          "12 0.33",
          "15 0.27",
          "16 0.27",
          "17 0.27",
          "18 0.27",
          "19 0.27",
          "2 -0.18",
          "20 0.57",
          "24 0.42",
          "26 0.3",
          "27 -0.14",
          "28 0.3",
          "29 0.28",
          "3 -0.18",
          "30 0.3",
          "31 -0.15",
          "32 -0.15",
          "33 0.57",
          "34 0.2",
          "35 0.18",
          "36 -0.15",
          "37 0.18",
          "38 -0.14",
          "39 0.18",
          "4 -0.18",
          "40 -0.15",
          "41 0.18",
          "42 -0.15",
          "43 -0.15",
          "5 -0.56",
          "6 -0.57",
          "68 0.37",
          "7 -0.57",
          "76 0.15",
          "77 0.15",
          "8 -0.81",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "9 -0.81"
        }
      },
      {
        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 { 136, 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 {
          "11",
          "1 10 donor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 cation",
          "1 9 cation",
          "6 27 31 32 35 36 37 rings",
          "6 38 39 40 41 42 43 rings",
          "6 5 11 24 26 28 29 rings",
          "6 8 17 18 21 22 25 rings",
          "6 9 12 13 14 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      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
    }
  }
}