COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.116  -0.476   2.534  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.274   1.116  -0.920  1.00  0.00           N  
HETATM    3  C   UNL     1       1.010   0.433  -1.582  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.046   0.707  -0.542  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.288   1.253   0.031  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.985   1.456   1.361  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.213   1.536   1.988  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.990   1.277   0.313  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.043   0.995  -1.677  1.00  0.00           C  
HETATM   10  C   UNL     1       2.371   0.576  -0.955  1.00  0.00           C  
HETATM   11  C   UNL     1       4.110   2.065  -0.214  1.00  0.00           C  
HETATM   12  C   UNL     1       3.122  -0.502  -0.544  1.00  0.00           C  
HETATM   13  C   UNL     1       2.653  -1.925  -0.717  1.00  0.00           C  
HETATM   14 CL   UNL     1       4.725   3.676  -0.017  1.00  0.00          Cl  
HETATM   15  C   UNL     1       2.872   1.862  -0.791  1.00  0.00           C  
HETATM   16  C   UNL     1       4.859   0.980   0.206  1.00  0.00           C  
HETATM   17  C   UNL     1       4.364  -0.297   0.041  1.00  0.00           C  
HETATM   18  N   UNL     1       1.238  -1.935  -1.103  1.00  0.00           N  
HETATM   19  S   UNL     1       0.161  -2.981  -0.403  1.00  0.00           S  
HETATM   20  O   UNL     1      -0.988  -2.992  -1.237  1.00  0.00           O  
HETATM   21  O   UNL     1       0.896  -4.152  -0.075  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.311  -2.308   1.035  1.00  0.00           N  
HETATM   23  C   UNL     1       0.503  -2.503   2.238  1.00  0.00           C  
HETATM   24  C   UNL     1       1.413  -1.359   2.405  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.543  -1.518   1.105  1.00  0.00           C  
HETATM   26  C   UNL     1       0.812  -0.977  -2.137  1.00  0.00           C  
HETATM   27  O   UNL     1       0.208   0.560   0.634  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.647   1.192  -0.348  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.370   0.945  -1.981  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.339   1.083  -0.989  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.631   1.339   0.663  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.934   1.588   2.276  1.00  0.00           N  
HETATM   33  H   UNL     1      -1.452   1.319  -1.852  1.00  0.00           H  
HETATM   34  H   UNL     1       0.910   1.154  -2.393  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.950   1.509   1.664  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.947   1.646   2.773  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.752   1.383   1.070  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.302   0.882  -2.455  1.00  0.00           H  
HETATM   39  H   UNL     1       3.244  -2.410  -1.494  1.00  0.00           H  
HETATM   40  H   UNL     1       2.776  -2.465   0.222  1.00  0.00           H  
HETATM   41  H   UNL     1       2.289   2.710  -1.119  1.00  0.00           H  
HETATM   42  H   UNL     1       5.826   1.133   0.661  1.00  0.00           H  
HETATM   43  H   UNL     1       4.948  -1.144   0.371  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.148  -2.580   3.109  1.00  0.00           H  
HETATM   45  H   UNL     1       1.085  -3.420   2.138  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.365  -2.154   1.433  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.411  -0.701   1.813  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.769  -1.111   0.119  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.239  -1.135  -2.376  1.00  0.00           H  
HETATM   50  H   UNL     1       1.419  -1.109  -3.033  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.676   0.793  -3.006  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.384   1.035  -1.257  1.00  0.00           H  
CONECT    1   24   24   24                                            
CONECT    2    5    4   33                                            
CONECT    3    4   26   10   34                                       
CONECT    4    2    3   27   27                                       
CONECT    5   28   28    6    2                                       
CONECT    6   32   32    5   35                                       
CONECT    7   31   31   32   36                                       
CONECT    8   30   30   31   37                                       
CONECT    9   29   29   28   38                                       
CONECT   10    3   15   15   12                                       
CONECT   11   15   14   16   16                                       
CONECT   12   10   13   17   17                                       
CONECT   13   18   12   39   40                                       
CONECT   14   11                                                      
CONECT   15   10   10   11   41                                       
CONECT   16   11   11   17   42                                       
CONECT   17   12   12   16   43                                       
CONECT   18   26   19   13                                            
CONECT   19   20   20   18   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   25                                            
CONECT   23   24   22   44   45                                       
CONECT   24    1    1    1   23                                       
CONECT   25   22   46   47   48                                       
CONECT   26    3   18   49   50                                       
CONECT   27    4    4                                                 
CONECT   28   31    9    5    5                                       
CONECT   29   30    9    9   51                                       
CONECT   30    8    8   29   52                                       
CONECT   31    8    7    7   28                                       
CONECT   32    7    6    6                                            
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
