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              33,
              37,
              119,
              88,
              113,
              101,
              131,
              52,
              61,
              13,
              158,
              43,
              38,
              50,
              166,
              19,
              143,
              11,
              148,
              100,
              138,
              185,
              34,
              121,
              7,
              102,
              22,
              103,
              183,
              21,
              2,
              26,
              139,
              1,
              4,
              84
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "44",
          "1 -0.18",
          "10 -0.66",
          "11 -0.66",
          "12 0.33",
          "15 0.27",
          "16 0.27",
          "17 0.27",
          "18 0.27",
          "19 0.57",
          "2 -0.18",
          "20 0.27",
          "25 0.42",
          "26 0.3",
          "27 -0.14",
          "28 0.3",
          "29 0.28",
          "3 -0.18",
          "30 0.3",
          "31 0.3",
          "32 -0.15",
          "33 -0.15",
          "34 0.57",
          "35 0.2",
          "36 0.18",
          "37 -0.15",
          "38 0.18",
          "39 -0.14",
          "4 -0.18",
          "40 0.18",
          "41 -0.15",
          "42 0.18",
          "43 -0.15",
          "44 -0.15",
          "5 -0.56",
          "6 -0.57",
          "7 -0.57",
          "79 0.15",
          "8 -0.81",
          "80 0.15",
          "83 0.15",
          "84 0.15",
          "85 0.15",
          "86 0.15",
          "9 -0.81"
        }
      },
      {
        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 { 136, 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 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 cation",
          "1 9 cation",
          "6 27 32 33 36 37 38 rings",
          "6 39 40 41 42 43 44 rings",
          "6 5 11 25 26 28 29 rings",
          "6 8 17 18 21 22 24 rings",
          "6 9 12 13 14 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      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 1
    }
  }
}