D01JTI
 Wcorina  10100417213D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 20  0     0  0  0  0  0  0999 V2000
   -0.6782    3.3941    6.4396 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
   -0.8362    2.5470    3.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2235    0.5963    2.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3104    2.2589    4.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7490    0.3081    4.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847    1.1405    5.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4568    3.4204    3.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4299   -0.0544    1.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3659   -0.5679    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
    0.8953    0.9152    6.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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 18  1  0  0  0  0
  7 19  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
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 20  1  0  0  0  0
M  END

$$$$