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              289,
              338,
              352,
              146,
              125,
              188,
              166,
              51,
              78,
              271,
              129,
              89,
              27,
              10,
              304,
              91,
              201,
              55,
              147,
              82,
              104,
              348,
              52,
              301,
              302,
              222,
              22,
              216,
              187,
              158,
              251,
              48,
              350,
              185,
              248,
              63,
              196,
              161,
              337,
              110,
              211,
              286,
              31,
              231,
              24,
              202,
              272,
              334,
              100,
              15,
              66,
              230,
              137,
              181,
              206,
              283,
              74,
              278,
              68,
              32,
              133,
              323,
              306,
              71,
              35,
              143,
              8,
              210,
              47,
              122,
              255,
              165,
              259,
              37,
              245,
              250,
              321,
              42,
              25,
              43,
              70,
              79,
              261,
              53,
              238,
              151,
              149,
              33,
              85,
              284,
              19,
              152,
              50,
              61,
              36,
              29,
              121,
              12,
              106,
              115,
              204,
              60,
              236,
              221,
              13,
              65,
              102,
              156,
              57,
              172,
              58,
              21,
              23,
              14,
              40,
              170,
              7,
              38,
              41,
              127,
              34,
              72,
              75
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "56",
          "1 -0.65",
          "10 -0.54",
          "11 0.36",
          "12 -0.33",
          "13 -0.33",
          "14 -0.18",
          "15 -0.18",
          "16 -0.18",
          "17 -0.18",
          "18 -0.2",
          "19 -0.2",
          "2 -0.65",
          "20 0.18",
          "21 0.18",
          "22 0.18",
          "23 0.18",
          "24 0.06",
          "25 0.06",
          "26 -0.11",
          "27 -0.11",
          "28 0.11",
          "29 0.11",
          "3 -0.57",
          "30 -0.14",
          "32 0.66",
          "33 0.66",
          "34 -0.12",
          "35 0.01",
          "36 0.62",
          "37 0.62",
          "38 0.14",
          "39 -0.15",
          "4 -0.57",
          "40 0.14",
          "41 -0.15",
          "42 -0.3",
          "43 -0.3",
          "46 0.27",
          "47 0.27",
          "5 -0.57",
          "6 -0.57",
          "62 0.15",
          "63 0.15",
          "64 0.37",
          "65 0.37",
          "69 0.15",
          "7 0.03",
          "73 0.15",
          "74 0.5",
          "75 0.5",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 0.03",
          "9 -0.54"
        }
      },
      {
        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 { 124, 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 {
          "20",
          "1 1 acceptor",
          "1 10 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 42 hydrophobe",
          "1 43 hydrophobe",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 cation",
          "1 7 donor",
          "1 8 cation",
          "1 8 donor",
          "1 9 donor",
          "3 1 3 32 anion",
          "3 2 4 33 anion",
          "5 10 29 31 34 37 rings",
          "5 7 12 14 16 18 rings",
          "5 8 13 15 17 19 rings",
          "5 9 28 30 35 36 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 2,
      bond-chiral-def 2,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 25
    }
  }
}