D00PUF
 Wcorina  10100417223D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 17 16  0     1  0  0  0  0  0999 V2000
   -0.0173    1.4248    0.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3627   -0.4324   -3.6991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1107    0.5101   -2.3484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103   -0.1391    2.4472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7182   -0.4975   -1.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421   -0.5109    1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0771   -0.1029   -2.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0205   -0.3814    0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103   -0.0491   -1.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8116   -1.5829   -1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350   -0.0630    1.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8346   -1.5958    1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560   -0.4885    2.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4583   -0.4628    3.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8606    1.8301    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1815   -0.1575   -4.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END

$$$$