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              18,
              26,
              59,
              15,
              162,
              50,
              11,
              10,
              127,
              85,
              160,
              8,
              128,
              89,
              6,
              151,
              109,
              101,
              163,
              20,
              22,
              173,
              45,
              29,
              140,
              121,
              131,
              130,
              3,
              81,
              120,
              1,
              64,
              30,
              103
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "41",
          "1 -0.18",
          "10 0.06",
          "13 0.27",
          "14 0.27",
          "15 0.27",
          "16 0.42",
          "2 -0.18",
          "20 0.3",
          "21 0.57",
          "22 -0.14",
          "23 0.3",
          "24 0.28",
          "25 -0.15",
          "26 -0.15",
          "27 0.57",
          "28 0.2",
          "29 0.18",
          "3 -0.56",
          "30 -0.15",
          "31 0.18",
          "32 -0.14",
          "33 -0.15",
          "34 -0.15",
          "35 -0.14",
          "36 -0.14",
          "37 -0.15",
          "38 0.14",
          "39 0.14",
          "4 -0.57",
          "5 -0.57",
          "6 -0.81",
          "67 0.37",
          "68 0.37",
          "69 0.15",
          "7 -0.66",
          "70 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "8 -0.8"
        }
      },
      {
        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 { 134, 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 {
          "12",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 40 hydrophobe",
          "1 41 hydrophobe",
          "1 5 acceptor",
          "1 6 cation",
          "1 8 donor",
          "3 10 18 19 hydrophobe",
          "6 22 25 26 29 30 31 rings",
          "6 3 7 16 20 23 24 rings",
          "6 32 33 34 35 36 37 rings",
          "6 6 9 11 12 13 14 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      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
    }
  }
}