COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       6.784  -0.729   0.648  1.00  0.00           S  
HETATM    2  C   UNL     1       5.347   0.221   0.082  1.00  0.00           C  
HETATM    3  O   UNL     1       5.147   1.342   0.945  1.00  0.00           O  
HETATM    4  C   UNL     1       4.104  -0.670   0.107  1.00  0.00           C  
HETATM    5  C   UNL     1       4.315  -1.852  -0.804  1.00  0.00           C  
HETATM    6  O   UNL     1       3.629  -1.985  -1.790  1.00  0.00           O  
HETATM    7  O   UNL     1       5.264  -2.757  -0.519  1.00  0.00           O  
HETATM    8  O   UNL     1       2.953   0.091  -0.347  1.00  0.00           O  
HETATM    9  C   UNL     1       1.758  -0.253   0.158  1.00  0.00           C  
HETATM   10  O   UNL     1       1.676  -1.159   0.953  1.00  0.00           O  
HETATM   11  C   UNL     1       0.518   0.492  -0.266  1.00  0.00           C  
HETATM   12  C   UNL     1       0.662   1.971   0.099  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.830   2.868  -0.412  1.00  0.00           S  
HETATM   14  O   UNL     1      -0.696   4.241  -0.073  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.648  -0.069   0.421  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.874   0.052  -0.124  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.012   0.625  -1.184  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.073  -0.525   0.582  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.332  -0.252  -0.244  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.550  -0.838   0.474  1.00  0.00           C  
HETATM   21  CA  UNL     1      -6.809  -0.566  -0.352  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.989  -1.247   0.291  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.754  -0.611   0.977  1.00  0.00           O  
HETATM   24  OXT UNL     1      -8.190  -2.561   0.102  1.00  0.00           O  
HETATM   25  N   UNL     1      -7.051   0.882  -0.411  1.00  0.00           N  
HETATM   26  C   UNL     1       8.160   0.428   0.405  1.00  0.00           C  
HETATM   27  H   UNL     1       9.091  -0.044   0.718  1.00  0.00           H  
HETATM   28  H   UNL     1       8.226   0.698  -0.648  1.00  0.00           H  
HETATM   29  H   UNL     1       7.990   1.325   1.001  1.00  0.00           H  
HETATM   30  H   UNL     1       4.985   1.104   1.868  1.00  0.00           H  
HETATM   31  H   UNL     1       3.929  -1.021   1.124  1.00  0.00           H  
HETATM   32  H   UNL     1       5.362  -3.498  -1.133  1.00  0.00           H  
HETATM   33  H   UNL     1       0.387   0.394  -1.343  1.00  0.00           H  
HETATM   34  H   UNL     1       0.794   2.069   1.176  1.00  0.00           H  
HETATM   35  H   UNL     1       1.530   2.388  -0.413  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.537  -0.527   1.269  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.943  -1.601   0.701  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.175  -0.061   1.563  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.463   0.823  -0.362  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.231  -0.716  -1.225  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.419  -1.914   0.592  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.652  -0.374   1.455  1.00  0.00           H  
HETATM   43  HA  UNL     1      -6.672  -0.952  -1.362  1.00  0.00           H  
HETATM   44  H1  UNL     1      -7.840   1.093  -1.004  1.00  0.00           H  
HETATM   45  H2  UNL     1      -7.182   1.265   0.514  1.00  0.00           H  
HETATM   46  HXT UNL     1      -8.961  -2.953   0.535  1.00  0.00           H  
HETATM   47  H   UNL     1       5.521   0.573  -0.935  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.734   2.876  -1.753  1.00  0.00           H  
CONECT    1    2   26                                                 
CONECT    2    1    3    4   47                                       
CONECT    3    2   30                                                 
CONECT    4    2    5    8   31                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   32                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   15   33                                       
CONECT   12   11   13   34   35                                       
CONECT   13   12   14   14   48                                       
CONECT   14   13   13                                                 
CONECT   15   11   16   36                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   37   38                                       
CONECT   19   18   20   39   40                                       
CONECT   20   19   21   41   42                                       
CONECT   21   20   22   25   43                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   46                                                 
CONECT   25   21   44   45                                            
CONECT   26    1   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   24                                                      
CONECT   47    2                                                      
CONECT   48   13                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
