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              152,
              253,
              127,
              88,
              304,
              106,
              157,
              176,
              153,
              27,
              102,
              229,
              261,
              175,
              188,
              141,
              84,
              209,
              99,
              101,
              172,
              51,
              277,
              22,
              217,
              14,
              23,
              301,
              76,
              218,
              242,
              279,
              2,
              262,
              195,
              221,
              185,
              70,
              284,
              190,
              237,
              144,
              205,
              123,
              186,
              80,
              148,
              182,
              119,
              307,
              297,
              164,
              50,
              11,
              156,
              224,
              194,
              29,
              83,
              96,
              269,
              264,
              89,
              235,
              191,
              56,
              146,
              165,
              115,
              3,
              196,
              215,
              87,
              291,
              79,
              67,
              179,
              113,
              25,
              21,
              5,
              183,
              207,
              78,
              248,
              93,
              37,
              232,
              223,
              276,
              57,
              226,
              171,
              35,
              244,
              246,
              62,
              4,
              46,
              38,
              12,
              41,
              150,
              274,
              230,
              90,
              212,
              159,
              9,
              31,
              20,
              39,
              69,
              10,
              33,
              260,
              109,
              42,
              28,
              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 {
          "60",
          "1 -0.19",
          "10 0.06",
          "12 0.14",
          "13 0.14",
          "14 0.06",
          "15 0.14",
          "16 0.42",
          "17 0.57",
          "18 0.66",
          "19 0.3",
          "2 -0.43",
          "20 -0.29",
          "21 -0.29",
          "22 0.57",
          "23 -0.14",
          "24 -0.14",
          "25 0.44",
          "26 0.3",
          "27 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 -0.14",
          "32 0.28",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 0.19",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "5 -0.57",
          "59 0.15",
          "6 -0.68",
          "60 0.15",
          "61 0.37",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.73",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.66",
          "80 0.15",
          "81 0.4",
          "82 0.15",
          "9 0.06"
        }
      },
      {
        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 { 118, 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 {
          "9",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 donor",
          "6 23 27 28 33 34 37 rings",
          "6 24 29 30 35 36 40 rings",
          "6 31 38 39 41 42 43 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}