10 MOL          Propanal               Unknown    0
   1   2   0.8169  -0.4864   0.0000    
   2   1  -0.6737  -0.7140   0.0000    
   3   1  -1.4907   0.5724   0.0000    
   4   9   1.3397   0.5805   0.0000    
   5  13   1.4250  -1.3983   0.0000    
   6  13  -0.9072  -1.3314  -0.8664    
   7  13  -0.9072  -1.3314   0.8664    
   8  13  -2.5520   0.3482   0.0000    
   9  13  -1.2683   1.1724   0.8742    
  10  13  -1.2683   1.1724  -0.8742    
   9 MOL
   1   1   2            1
   2   1   4            2
   3   1   5            1
   4   2   3            1
   5   2   6            1
   6   2   7            1
   7   3   8            1
   8   3   9            1
   9   3  10            1
   0 MOL