D0X4CE
 Wcorina  11010620253D 1   1.00000     0.00000     0
CORINA evaluation license 3.40 0067  02.08.2006
 17 17  0     0  0            999 V2000
   -0.0188    1.5336    0.0105 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5179    1.4762   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6126    2.1361   -1.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5742    2.1078    1.2433 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941    0.0896    0.6488 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1560    3.3628   -1.1963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5995    1.5150   -2.2730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069   -0.8473    0.1525 F  -1  0  0  0  0  0  0  0  0  0  0  0
   -0.7506   -0.4545    0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139   -0.4351   -0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441    1.4499   -1.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9889    2.2208    0.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5692    3.1161    1.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5038    1.7570    1.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683    0.1194    1.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5243    3.7072   -2.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  ISO  1   9  18
M  END

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