COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.093  -0.976   2.458  1.00  0.00           C  
HETATM    2  C   UNL     1       1.887  -1.449   1.975  1.00  0.00           C  
HETATM    3  C   UNL     1       1.553  -1.262   0.647  1.00  0.00           C  
HETATM    4  C   UNL     1       2.426  -0.603  -0.199  1.00  0.00           C  
HETATM    5  C   UNL     1       3.632  -0.131   0.283  1.00  0.00           C  
HETATM    6  C   UNL     1       3.963  -0.312   1.613  1.00  0.00           C  
HETATM    7  S   UNL     1       4.744   0.708  -0.795  1.00  0.00           S  
HETATM    8  O   UNL     1       6.037   0.574  -0.221  1.00  0.00           O  
HETATM    9  O   UNL     1       4.430   0.276  -2.112  1.00  0.00           O  
HETATM   10  C   UNL     1       0.238  -1.778   0.120  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.762  -0.767   0.266  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.013  -1.072  -0.163  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.281  -2.313  -0.706  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.561  -2.635  -1.142  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.584  -1.737  -1.046  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.350  -0.469  -0.501  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.049  -0.132  -0.054  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.840   1.154   0.497  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.871   1.985   0.565  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.076   1.632   0.128  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.328   0.444  -0.389  1.00  0.00           N  
HETATM   22  N   UNL     1      -6.110   2.544   0.227  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.596   1.533   0.954  1.00  0.00           N  
HETATM   24  H   UNL     1       3.354  -1.122   3.495  1.00  0.00           H  
HETATM   25  H   UNL     1       1.205  -1.964   2.636  1.00  0.00           H  
HETATM   26  H   UNL     1       2.165  -0.458  -1.237  1.00  0.00           H  
HETATM   27  H   UNL     1       4.905   0.057   1.990  1.00  0.00           H  
HETATM   28  H   UNL     1       0.345  -2.035  -0.933  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.056  -2.664   0.683  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.488  -3.041  -0.793  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.748  -3.611  -1.564  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.572  -2.005  -1.391  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.949   3.421   0.608  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.998   2.307  -0.086  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.801   1.082   0.628  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.514   2.251   1.601  1.00  0.00           H  
HETATM   37  O   UNL     1       4.399   2.189  -0.735  1.00  0.00           O  
HETATM   38  H   UNL     1       4.955   2.746  -1.296  1.00  0.00           H  
CONECT    1    6    6    2   24                                       
CONECT    2    3    3    1   25                                       
CONECT    3    4   10    2    2                                       
CONECT    4    5    5    3   26                                       
CONECT    5    7    4    4    6                                       
CONECT    6    5    1    1   27                                       
CONECT    7    9    9    8    8                                       
CONECT    7    5   37                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10   11    3   28   29                                       
CONECT   11   12   10                                                 
CONECT   12   13   13   17   11                                       
CONECT   13   14   12   12   30                                       
CONECT   14   15   15   13   31                                       
CONECT   15   14   14   16   32                                       
CONECT   16   15   21   21   17                                       
CONECT   17   16   12   18   18                                       
CONECT   18   17   17   19   23                                       
CONECT   19   20   20   18                                            
CONECT   20   21   22   19   19                                       
CONECT   21   16   16   20                                            
CONECT   22   20   33   34                                            
CONECT   23   18   35   36                                            
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   22                                                      
CONECT   34   22                                                      
CONECT   35   23                                                      
CONECT   36   23                                                      
CONECT   37    7   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
