D0XL5K
 Wcorina  10100417263D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 19 20  0     0  0  0  0  0  0999 V2000
   -0.0172    1.4168    0.0098 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4128    1.6229    3.0431 S   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
    1.1617    2.2101    0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0622    2.4881    1.4054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002    1.8797   -1.3124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8703    2.3872    3.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6472    2.7949    2.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9297    1.8941    1.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3104    2.6183    4.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8753    3.4384    2.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5145    3.2503    5.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2901    3.6559    4.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7078    2.3018    5.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4914    3.7617    2.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8561    3.4293    6.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2332    4.1510    4.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1992    1.2154   -1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1184    2.8153   -1.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END

$$$$