D0H3NS
 Wcorina  10100417203D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 21  0     0  0  0  0  0  0999 V2000
   -0.0163    1.3499    0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3822    2.9684    0.6637 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3881    3.5362   -1.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2151    1.7141   -2.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0803   -0.6963   -0.5808 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
    2.1844    0.0261   -1.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.3879   -0.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614   -2.0976   -0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0437   -0.7214    0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1865    1.9668    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0181   -2.7813   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0302   -2.1005    0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3478    2.2176   -1.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9464   -0.4667   -1.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8693   -2.6343   -1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8658   -0.2008    1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -3.8608   -0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8430   -2.6556    0.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259    4.0401   -1.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END

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