vanillin.MOL


 19 19  0  0  0                 1 V2000
   -1.6074    1.0022    0.7610 C   0  0  0  0  0
   -0.9154   -0.2216    0.7185 C   0  0  0  0  0
    0.4836   -0.1946    0.7510 C   0  0  0  0  0
    1.1994    1.0115    0.7575 C   0  0  0  0  0
    0.5016    2.2231    0.7587 C   0  0  0  0  0
   -0.8935    2.2040    0.7687 C   0  0  0  0  0
   -1.6256   -1.3940    0.7334 O   0  0  0  0  0
    2.6811    1.0060    0.7762 C   0  0  0  0  0
    3.3932    2.0006    0.7753 O   0  0  0  0  0
   -1.3913   -2.2514   -0.3682 C   0  0  0  0  0
   -2.9682    0.9992    0.7806 O   0  0  0  0  0
    1.0355   -1.1473    0.7830 H   0  0  0  0  0
    1.0333    3.1877    0.7676 H   0  0  0  0  0
   -1.4468    3.1573    0.7887 H   0  0  0  0  0
    3.1458   -0.0053    0.7891 H   0  0  0  0  0
   -2.0748   -3.1248   -0.2762 H   0  0  0  0  0
   -0.3432   -2.6217   -0.3651 H   0  0  0  0  0
   -1.6133   -1.7136   -1.3172 H   0  0  0  0  0
   -3.2437    0.0670    0.7852 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 11  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 13  1  0  0  0
  6 14  1  0  0  0
  7 10  1  6  0  0
  8  9  2  0  0  0
  8 15  1  0  0  0
 10 16  1  0  0  0
 10 17  1  0  0  0
 10 18  1  6  0  0
 11 19  1  0  0  0
M  END