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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 {
          "9",
          "1 -0.23",
          "17 0.23",
          "2 -0.23",
          "21 0.23",
          "24 0.28",
          "29 0.66",
          "3 -0.43",
          "31 0.06",
          "4 -0.57"
        }
      },
      {
        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 { 92, 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 {
          "10",
          "1 1 hydrophobe",
          "1 2 hydrophobe",
          "1 26 hydrophobe",
          "1 4 acceptor",
          "3 30 32 33 hydrophobe",
          "5 20 25 27 28 30 hydrophobe",
          "5 5 6 10 14 16 rings",
          "6 5 6 7 8 11 13 rings",
          "6 7 8 9 12 15 17 rings",
          "6 9 12 18 21 23 24 rings"
        }
      }
    },
    count {
      heavy-atom 33,
      atom-chiral 11,
      atom-chiral-def 9,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}