D0AA8E
 Wcorina  10100417233D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 17 18  0     0  0  0  0  0  0999 V2000
   -0.0190    1.5512    0.0106 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3565   -4.0370   -0.0313 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3151   -2.7502   -0.0087 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950   -2.2322   -0.0637 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2581   -0.1540   -0.0567 O   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
    0.8922   -2.9110   -0.0212 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5078    1.8475   -0.0024 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766   -1.0883   -0.0543 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2559   -0.4270   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7952   -1.7380   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1775    0.7062   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0186   -0.8335   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1385   -1.9157   -0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708    0.4454   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372   -2.9194   -0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2744    1.2648   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  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
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  CHG  4   2  -1   4  -1   7   1   9   1
M  END

$$$$