COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.882  -0.012  -0.091  1.00  0.00           O  
HETATM    2  C   UNL     1       5.795   0.531  -0.033  1.00  0.00           C  
HETATM    3  O   UNL     1       5.715   1.876   0.035  1.00  0.00           O  
HETATM    4  C   UNL     1       6.948   2.599   0.043  1.00  0.00           C  
HETATM    5  C   UNL     1       4.574  -0.274  -0.045  1.00  0.00           C  
HETATM    6  C   UNL     1       4.531  -1.640  -0.112  1.00  0.00           C  
HETATM    7  C   UNL     1       3.271  -2.173  -0.110  1.00  0.00           C  
HETATM    8  S   UNL     1       2.938   0.365   0.032  1.00  0.00           S  
HETATM    9  C   UNL     1       2.262  -1.257  -0.041  1.00  0.00           C  
HETATM   10  C   UNL     1       0.820  -1.579  -0.024  1.00  0.00           C  
HETATM   11  C   UNL     1       0.400  -2.907  -0.080  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.962  -3.202  -0.064  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.402  -4.563  -0.121  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.751  -5.643  -0.166  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.897  -2.166   0.010  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.126  -0.554   0.055  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.474  -0.853   0.065  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.488   0.259   0.150  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.888  -0.332   0.327  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.973  -1.046   1.677  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.926   0.791   0.277  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.163   1.156   1.317  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.885   0.553   2.586  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.664   0.074   3.592  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.122   2.501   1.222  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.819   3.213   2.356  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.441   1.088  -1.108  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.447   0.697  -2.392  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.503  -0.725  -2.889  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.394   1.810  -3.159  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.353   2.925  -2.308  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.381   2.498  -1.079  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.357   3.195   0.090  1.00  0.00           O  
HETATM   34  H   UNL     1       6.742   3.668   0.101  1.00  0.00           H  
HETATM   35  H   UNL     1       7.542   2.296   0.905  1.00  0.00           H  
HETATM   36  H   UNL     1       7.501   2.385  -0.872  1.00  0.00           H  
HETATM   37  H   UNL     1       5.421  -2.249  -0.163  1.00  0.00           H  
HETATM   38  H   UNL     1       3.089  -3.236  -0.159  1.00  0.00           H  
HETATM   39  H   UNL     1       1.127  -3.703  -0.137  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.953  -2.393   0.023  1.00  0.00           H  
HETATM   41  H   UNL     1       0.198   0.475   0.103  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.086  -1.045  -0.474  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.922  -0.312   2.481  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.916  -1.590   1.742  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.143  -1.746   1.771  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.854   1.310  -0.678  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.925   0.368   0.387  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.738   1.495   1.089  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.643   2.747   3.188  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.780   4.182   2.325  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.539  -1.062  -2.909  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.084  -0.775  -3.894  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.925  -1.365  -2.222  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.384   1.833  -4.129  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    5    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    3   34   35   36                                       
CONECT    5    6    6    2    8                                       
CONECT    6    5    5    7   37                                       
CONECT    7    6    9    9   38                                       
CONECT    8    5    9                                                 
CONECT    9    7    7    8   10                                       
CONECT   10    9   16   16   11                                       
CONECT   11   10   12   12   39                                       
CONECT   12   11   11   15   13                                       
CONECT   13   12   14   14   14                                       
CONECT   14   13   13   13                                            
CONECT   15   17   17   12   40                                       
CONECT   16   10   10   17   41                                       
CONECT   17   16   18   15   15                                       
CONECT   18   27   17   19   22                                       
CONECT   19   20   18   21   42                                       
CONECT   20   19   43   44   45                                       
CONECT   21   19   46   47   48                                       
CONECT   22   18   25   25   23                                       
CONECT   23   22   24   24   24                                       
CONECT   24   23   23   23                                            
CONECT   25   33   22   22   26                                       
CONECT   26   25   49   50                                            
CONECT   27   28   28   32   18                                       
CONECT   28   30   29   27   27                                       
CONECT   29   28   51   52   53                                       
CONECT   30   31   28   54                                            
CONECT   31   30   32   32                                            
CONECT   32   31   31   27   33                                       
CONECT   33   32   25                                                 
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
