D0H2DD
 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
    3.0798    7.5829    0.0115 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0154    1.2808    0.0091 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049   -0.4568   -0.0119 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112    0.4721   -0.0378 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6745    3.1400    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    1.7259   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    4.1079   -0.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300    3.5065    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450    0.5662   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3577    5.4222   -0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2415    4.8236    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092    5.7800    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4760    0.5137   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0393    3.8296   -1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4021    2.7610    1.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874    6.1730   -1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1366    5.1087    1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -0.5615    0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4 10  2  0  0  0  0
  5 14  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 16  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

$$$$