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              81,
              51,
              28
            }
          }
        }
      }
    },
    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 -0.56",
          "10 0.28",
          "11 0.14",
          "12 0.28",
          "13 0.42",
          "15 0.14",
          "17 0.84",
          "18 0.34",
          "19 -0.29",
          "2 -0.56",
          "21 0.14",
          "22 -0.28",
          "23 -0.29",
          "24 -0.28",
          "25 0.14",
          "26 0.49",
          "27 -0.12",
          "28 0.14",
          "29 0.42",
          "3 -0.56",
          "30 -0.3",
          "31 -0.14",
          "32 0.14",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 0.66",
          "38 -0.15",
          "39 0.2",
          "4 -0.68",
          "40 -0.14",
          "41 -0.15",
          "42 -0.15",
          "43 0.08",
          "44 -0.15",
          "45 0.08",
          "46 0.28",
          "5 -0.57",
          "53 0.15",
          "59 0.15",
          "6 -0.43",
          "62 0.4",
          "68 0.15",
          "69 0.15",
          "7 -0.57",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "8 -0.36",
          "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 {
          "14",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 donor",
          "10 1 2 3 10 11 12 13 14 16 17 rings",
          "5 15 18 23 26 27 rings",
          "6 31 33 34 35 36 38 rings",
          "6 40 41 42 43 44 45 rings",
          "7 10 11 15 18 19 21 24 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      atom-chiral 8,
      atom-chiral-def 7,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 9
    }
  }
}