D00KGK
 Wcorina  10100417233D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 19 20  0     0  0  0  0  0  0999 V2000
   -2.8286    0.2047    0.0284 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0164    1.3558    0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2758   -0.0540   -0.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2955   -2.0368   -0.0208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1111   -2.1626   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -2.7977   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1675   -0.6988    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2797   -2.9303    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -4.1868   -0.0233 C   0  0  0  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
    1.2381   -0.6936   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1945   -4.2942   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9581   -4.9241   -0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1594   -2.4777   -0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2457   -2.4474    0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1644   -4.6864   -0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0973   -4.8870    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9079   -6.0029   -0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8616    1.7611    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END

$$$$