COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.091  -0.827   0.805  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.331   0.018  -1.064  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.406   1.032  -1.223  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.313   1.112  -0.371  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.160   0.181   0.648  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.077   1.916  -0.237  1.00  0.00           C  
HETATM    7  C   UNL     1       0.173   2.679  -0.091  1.00  0.00           C  
HETATM    8  C   UNL     1       0.727   1.478  -0.513  1.00  0.00           C  
HETATM    9  C   UNL     1       2.072   1.232  -0.318  1.00  0.00           C  
HETATM   10  C   UNL     1       2.869   2.185   0.299  1.00  0.00           C  
HETATM   11  C   UNL     1       2.316   3.385   0.720  1.00  0.00           C  
HETATM   12  C   UNL     1       0.973   3.635   0.521  1.00  0.00           C  
HETATM   13  C   UNL     1       8.224  -0.850   0.158  1.00  0.00           C  
HETATM   14  O   UNL     1      10.787  -1.653   0.388  1.00  0.00           O  
HETATM   15  O   UNL     1      -6.688  -3.253   0.833  1.00  0.00           O  
HETATM   16  S   UNL     1      -7.355  -2.202   0.148  1.00  0.00           S  
HETATM   17  O   UNL     1      -7.982  -2.372  -1.116  1.00  0.00           O  
HETATM   18  N   UNL     1      -8.525  -1.641   1.178  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.174  -0.910  -0.051  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.374   2.138  -0.530  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.707   0.800   0.075  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.191   2.930  -0.290  1.00  0.00           N  
HETATM   23  O   UNL     1       4.192   1.940   0.496  1.00  0.00           O  
HETATM   24  C   UNL     1       4.694   0.683   0.037  1.00  0.00           C  
HETATM   25  C   UNL     1       6.191   0.589   0.343  1.00  0.00           C  
HETATM   26  C   UNL     1       6.728  -0.757  -0.148  1.00  0.00           C  
HETATM   27  N   UNL     1       8.739  -2.139  -0.312  1.00  0.00           N  
HETATM   28  C   UNL     1      10.042  -2.444  -0.149  1.00  0.00           C  
HETATM   29  C   UNL     1      10.571  -3.770  -0.632  1.00  0.00           C  
HETATM   30  H   UNL     1      -4.971  -1.554   1.595  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.177  -0.049  -1.731  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.530   1.756  -2.014  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.315   0.246   1.317  1.00  0.00           H  
HETATM   34  H   UNL     1       0.106   0.736  -0.993  1.00  0.00           H  
HETATM   35  H   UNL     1       2.503   0.297  -0.645  1.00  0.00           H  
HETATM   36  H   UNL     1       2.938   4.126   1.201  1.00  0.00           H  
HETATM   37  H   UNL     1       0.543   4.569   0.849  1.00  0.00           H  
HETATM   38  H   UNL     1       8.750  -0.042  -0.349  1.00  0.00           H  
HETATM   39  H   UNL     1       8.381  -0.767   1.233  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.462  -0.744   1.542  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.274  -2.210   1.417  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.656   3.008  -0.851  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.498   3.833  -0.465  1.00  0.00           H  
HETATM   44  H   UNL     1       4.168  -0.126   0.544  1.00  0.00           H  
HETATM   45  H   UNL     1       4.538   0.600  -1.039  1.00  0.00           H  
HETATM   46  H   UNL     1       6.717   1.398  -0.164  1.00  0.00           H  
HETATM   47  H   UNL     1       6.347   0.672   1.418  1.00  0.00           H  
HETATM   48  H   UNL     1       6.572  -0.840  -1.224  1.00  0.00           H  
HETATM   49  H   UNL     1       6.202  -1.565   0.359  1.00  0.00           H  
HETATM   50  H   UNL     1       8.143  -2.772  -0.742  1.00  0.00           H  
HETATM   51  H   UNL     1      10.486  -4.508   0.165  1.00  0.00           H  
HETATM   52  H   UNL     1       9.993  -4.099  -1.496  1.00  0.00           H  
HETATM   53  H   UNL     1      11.618  -3.661  -0.916  1.00  0.00           H  
CONECT    1    5    5   19   30                                       
CONECT    2    3   19   19   31                                       
CONECT    3    4    4    2   32                                       
CONECT    4   20    3    3    5                                       
CONECT    5    4    1    1   33                                       
CONECT    6   22   21   21   20                                       
CONECT    7   12   12    8   22                                       
CONECT    8    9    9    7   34                                       
CONECT    9   10    8    8   35                                       
CONECT   10   23   11   11    9                                       
CONECT   11   10   10   12   36                                       
CONECT   12   11    7    7   37                                       
CONECT   13   27   26   38   39                                       
CONECT   14   28   28                                                 
CONECT   15   16   16                                                 
CONECT   16   19   17   17   18                                       
CONECT   16   15   15                                                 
CONECT   17   16   16                                                 
CONECT   18   16   40   41                                            
CONECT   19    2    2    1   16                                       
CONECT   20    6    4   42                                            
CONECT   21    6    6                                                 
CONECT   22    7    6   43                                            
CONECT   23   24   10                                                 
CONECT   24   25   23   44   45                                       
CONECT   25   26   24   46   47                                       
CONECT   26   13   25   48   49                                       
CONECT   27   28   13   50                                            
CONECT   28   14   14   29   27                                       
CONECT   29   28   51   52   53                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
