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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 {
          "40",
          "1 -0.7",
          "10 -0.15",
          "11 0.14",
          "12 -0.15",
          "13 -0.14",
          "14 0.14",
          "15 -0.15",
          "16 -0.15",
          "17 -0.14",
          "18 0.39",
          "2 0.14",
          "21 -0.15",
          "23 -0.15",
          "24 -0.15",
          "25 -0.15",
          "26 -0.15",
          "27 -0.15",
          "28 -0.15",
          "29 -0.14",
          "30 -0.15",
          "31 0.38",
          "32 -0.14",
          "33 0.14",
          "46 0.15",
          "5 -0.14",
          "50 0.15",
          "54 0.15",
          "56 0.15",
          "57 0.15",
          "6 0.14",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.06",
          "69 0.15",
          "7 -0.28"
        }
      },
      {
        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 { 78, 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 {
          "7",
          "1 1 acceptor",
          "1 14 hydrophobe",
          "1 33 hydrophobe",
          "3 2 8 9 hydrophobe",
          "6 17 19 20 21 24 26 rings",
          "6 19 20 23 27 28 30 rings",
          "6 2 3 4 5 6 7 rings"
        }
      }
    },
    count {
      heavy-atom 33,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 4,
      bond-chiral-def 4,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}