D0E4UI
 Wcorina  10100417223D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 17 17  0     0  0  0  0  0  0999 V2000
    3.4590   -0.4224    0.3531 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302   -2.7727    0.2188 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3378   -2.6880    0.2566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073    1.3560   -0.1923 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059    1.4607    0.0867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1576   -0.7317   -0.1974 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2604   -2.1234    0.1945 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1140    3.4301   -0.1902 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102   -0.0110   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030   -0.6479    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1512    2.0642   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3781    0.1235    0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8476    1.8204   -0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0061   -0.3109    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1324   -1.6606   -0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    3.8841   -0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9342    3.9434   -0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  2   2  -1   7   1
M  END

$$$$