D0IU3X
 Wcorina  10100417243D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 20  0     0  0  0  0  0  0999 V2000
    1.2035    0.7485    6.8500 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    1.4168    0.0098 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2893    3.4155    1.1615 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3866    1.4117    1.1612 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1903    2.1659    0.0023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7587    1.8230   -1.4141 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1394    2.0311    1.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5668    1.7173    2.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8363    2.5473    3.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2234    0.5965    2.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110    2.2602    4.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7488    0.3083    4.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4843    1.1419    5.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4573    3.4205    3.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4298   -0.0543    1.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210    2.9091    5.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3664   -0.5672    4.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6094    2.2888   -1.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3422    1.5951   -2.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
M  END

$$$$