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              28,
              295,
              174,
              208,
              252,
              89,
              74,
              206,
              17,
              331,
              40,
              151,
              139,
              22,
              94,
              83,
              165,
              246,
              185,
              36,
              71,
              324,
              91,
              258,
              53,
              29,
              72,
              52,
              18,
              182,
              183,
              80,
              84,
              68,
              315,
              118,
              99
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "54",
          "1 -0.08",
          "10 0.14",
          "11 -0.14",
          "12 -0.14",
          "13 -0.15",
          "14 -0.15",
          "15 -0.15",
          "16 -0.15",
          "17 0.08",
          "18 0.08",
          "19 0.08",
          "2 -0.36",
          "20 0.08",
          "21 0.08",
          "22 -0.15",
          "23 0.28",
          "24 0.28",
          "25 0.05",
          "26 0.08",
          "27 0.33",
          "28 -0.15",
          "29 -0.15",
          "3 -0.36",
          "30 0.04",
          "31 0.23",
          "32 -0.15",
          "33 -0.15",
          "34 0.28",
          "35 0.28",
          "36 0.28",
          "37 0.28",
          "38 -0.15",
          "39 -0.15",
          "4 -0.36",
          "40 -0.15",
          "41 -0.15",
          "46 0.15",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.36",
          "50 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "6 -0.36",
          "7 -0.36",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "8 -0.57",
          "9 0.14"
        }
      },
      {
        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 { 13, 10, 0 }
      },
      {
        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 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "5 1 8 27 30 31 rings",
          "6 11 13 16 17 20 22 rings",
          "6 12 14 15 18 19 21 rings",
          "6 25 26 28 29 32 33 rings",
          "6 30 31 38 39 40 41 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}