COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.856  -1.045   2.257  1.00  0.00           N  
HETATM    2  C   UNL     1       2.018  -1.069   3.462  1.00  0.00           C  
HETATM    3  C   UNL     1       2.867  -0.704   4.682  1.00  0.00           C  
HETATM    4  C   UNL     1       4.005  -1.715   4.832  1.00  0.00           C  
HETATM    5  C   UNL     1       3.451   0.697   4.495  1.00  0.00           C  
HETATM    6  C   UNL     1       0.896  -0.073   3.315  1.00  0.00           C  
HETATM    7  O   UNL     1       1.058   0.926   2.649  1.00  0.00           O  
HETATM    8  S   UNL     1      -1.518   0.799   3.760  1.00  0.00           S  
HETATM    9  O   UNL     1      -2.653   0.193   4.363  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.967   2.057   4.123  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.285  -0.295   3.923  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.871   0.911   2.146  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.308  -0.276   1.408  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.567   0.098  -0.052  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.352   0.571  -0.658  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.378   0.149  -2.038  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.023   0.127  -2.596  1.00  0.00           N  
HETATM   18  C   UNL     1       0.315   0.315  -3.912  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.360   0.567  -5.029  1.00  0.00           N  
HETATM   20  C   UNL     1       0.269   0.707  -6.177  1.00  0.00           C  
HETATM   21  N   UNL     1       1.581   0.612  -6.281  1.00  0.00           N  
HETATM   22  C   UNL     1       2.341   0.368  -5.219  1.00  0.00           C  
HETATM   23  N   UNL     1       3.716   0.270  -5.338  1.00  0.00           N  
HETATM   24  C   UNL     1       1.715   0.211  -3.970  1.00  0.00           C  
HETATM   25  N   UNL     1       2.149  -0.038  -2.712  1.00  0.00           N  
HETATM   26  C   UNL     1       1.130  -0.088  -1.904  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.965  -1.283  -1.968  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.585  -1.641  -3.204  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.021  -1.146  -0.839  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.323  -0.948  -1.394  1.00  0.00           O  
HETATM   31  H   UNL     1       3.646  -1.645   2.441  1.00  0.00           H  
HETATM   32  H   UNL     1       3.218  -0.106   2.174  1.00  0.00           H  
HETATM   33  H   UNL     1       1.602  -2.068   3.596  1.00  0.00           H  
HETATM   34  H   UNL     1       2.244  -0.722   5.576  1.00  0.00           H  
HETATM   35  H   UNL     1       4.610  -1.454   5.700  1.00  0.00           H  
HETATM   36  H   UNL     1       3.589  -2.713   4.965  1.00  0.00           H  
HETATM   37  H   UNL     1       4.628  -1.697   3.937  1.00  0.00           H  
HETATM   38  H   UNL     1       4.073   0.715   3.600  1.00  0.00           H  
HETATM   39  H   UNL     1       2.640   1.418   4.388  1.00  0.00           H  
HETATM   40  H   UNL     1       4.056   0.958   5.363  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.414  -1.095   4.455  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.788   1.762   1.689  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.532  -1.040   1.455  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.226  -0.662   1.852  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.334   0.871  -0.106  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.024   0.800  -2.627  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.310   0.907  -7.066  1.00  0.00           H  
HETATM   48  H   UNL     1       4.136   0.380  -6.206  1.00  0.00           H  
HETATM   49  H   UNL     1       4.260   0.090  -4.555  1.00  0.00           H  
HETATM   50  H   UNL     1       1.190  -0.272  -0.841  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.196  -2.006  -1.697  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.929  -2.538  -3.095  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.010  -2.027  -0.198  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.524  -1.732  -1.922  1.00  0.00           H  
CONECT    1    2   31   32                                            
CONECT    2    1    3    6   33                                       
CONECT    3    2    4    5   34                                       
CONECT    4    3   35   36   37                                       
CONECT    5    3   38   39   40                                       
CONECT    6    2    7    7   11                                       
CONECT    7    6    6                                                 
CONECT    8    9    9   10   10                                       
CONECT    8   11   12                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    6    8   41                                            
CONECT   12    8   13   42                                            
CONECT   13   12   14   43   44                                       
CONECT   14   13   15   29   45                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   27   46                                       
CONECT   17   16   18   26                                            
CONECT   18   17   19   24   24                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   21   47                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21   23   24                                       
CONECT   23   22   48   49                                            
CONECT   24   18   18   22   25                                       
CONECT   25   24   26   26                                            
CONECT   26   17   25   25   50                                       
CONECT   27   16   28   29   51                                       
CONECT   28   27   52                                                 
CONECT   29   14   27   30   53                                       
CONECT   30   29   54                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   20                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
