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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 {
          "26",
          "1 -0.56",
          "11 0.34",
          "13 0.28",
          "16 0.28",
          "17 0.28",
          "2 -0.56",
          "20 0.56",
          "21 0.45",
          "22 0.14",
          "23 -0.28",
          "26 -0.29",
          "27 0.34",
          "28 -0.14",
          "3 -0.68",
          "31 -0.14",
          "32 0.54",
          "36 0.66",
          "37 0.06",
          "4 -0.57",
          "5 -0.43",
          "6 -0.57",
          "61 0.15",
          "62 0.4",
          "65 0.15",
          "7 -0.57",
          "70 0.15"
        }
      },
      {
        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 { 88, 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 3 donor",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "3 37 38 39 hydrophobe",
          "5 1 2 11 13 20 rings",
          "5 8 9 11 13 14 rings",
          "6 10 12 17 18 22 23 rings",
          "6 17 23 26 28 31 32 rings",
          "6 25 29 30 33 34 35 rings",
          "6 8 9 10 12 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 9,
      atom-chiral-def 9,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}