COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.165  -0.034   0.272  1.00  0.00           N  
HETATM    2  C   UNL     1       5.559   1.461  -0.002  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.513   1.406  -0.256  1.00  0.00           O  
HETATM    4  O   UNL     1       2.100  -3.143   0.487  1.00  0.00           O  
HETATM    5  S   UNL     1       1.794  -2.154  -0.486  1.00  0.00           S  
HETATM    6  O   UNL     1       2.133  -2.257  -1.862  1.00  0.00           O  
HETATM    7  C   UNL     1       2.424  -0.599   0.109  1.00  0.00           C  
HETATM    8  C   UNL     1       3.824  -0.177   0.288  1.00  0.00           C  
HETATM    9  C   UNL     1       4.245   1.072  -0.174  1.00  0.00           C  
HETATM   10  C   UNL     1       4.738  -1.025   0.922  1.00  0.00           C  
HETATM   11  C   UNL     1       6.047  -0.624   1.086  1.00  0.00           C  
HETATM   12  C   UNL     1       6.458   0.615   0.626  1.00  0.00           C  
HETATM   13 CL   UNL     1       6.087   3.010  -0.581  1.00  0.00          Cl  
HETATM   14  N   UNL     1       0.154  -1.840  -0.391  1.00  0.00           N  
HETATM   15  C   UNL     1       0.066  -0.624   0.067  1.00  0.00           C  
HETATM   16  C   UNL     1       1.291   0.095   0.356  1.00  0.00           C  
HETATM   17  C   UNL     1       1.301   1.505   0.888  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.392  -0.777  -0.025  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.608   0.097   0.294  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.889  -0.679  -0.017  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.056   0.160   0.290  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.126   1.316  -0.616  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.319   2.192  -0.224  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.479   0.271   0.615  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.298  -0.624   0.231  1.00  0.00           C  
HETATM   26  H   UNL     1      -1.218   0.871   0.617  1.00  0.00           H  
HETATM   27  H   UNL     1       3.545   1.733  -0.663  1.00  0.00           H  
HETATM   28  H   UNL     1       4.419  -1.992   1.281  1.00  0.00           H  
HETATM   29  H   UNL     1       6.753  -1.278   1.575  1.00  0.00           H  
HETATM   30  H   UNL     1       7.484   0.924   0.758  1.00  0.00           H  
HETATM   31  H   UNL     1       1.284   2.208   0.056  1.00  0.00           H  
HETATM   32  H   UNL     1       0.423   1.663   1.515  1.00  0.00           H  
HETATM   33  H   UNL     1       2.202   1.664   1.480  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.407  -1.047  -1.081  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.426  -1.681   0.581  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.593   0.367   1.350  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.574   1.002  -0.313  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.903  -0.949  -1.073  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.922  -1.584   0.590  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.207   1.896  -0.538  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.252   0.968  -1.641  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.409   3.020  -0.928  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.168   2.583   0.782  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.361   0.607   1.645  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.408  -0.289   0.518  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.442  -1.003  -0.780  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.234  -1.460   0.928  1.00  0.00           H  
CONECT    1   15   18   26                                            
CONECT    2   13   12   12    9                                       
CONECT    3   24   23                                                 
CONECT    4    5    5                                                 
CONECT    5    6    6    7    4                                       
CONECT    5    4   14                                                 
CONECT    6    5    5                                                 
CONECT    7    8   16   16    5                                       
CONECT    8    9    9   10    7                                       
CONECT    9    2    8    8   27                                       
CONECT   10   11   11    8   28                                       
CONECT   11   12   10   10   29                                       
CONECT   12    2    2   11   30                                       
CONECT   13    2                                                      
CONECT   14    5   15   15                                            
CONECT   15   16   14   14    1                                       
CONECT   16    7    7   17   15                                       
CONECT   17   16   31   32   33                                       
CONECT   18    1   19   34   35                                       
CONECT   19   18   20   36   37                                       
CONECT   20   19   21   38   39                                       
CONECT   21   20   25   22                                            
CONECT   22   21   23   40   41                                       
CONECT   23   22    3   42   43                                       
CONECT   24   25    3   44   45                                       
CONECT   25   21   24   46   47                                       
CONECT   26    1                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   17                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
