COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.439  -0.802   0.177  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.622  -0.356   0.767  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.404  -2.048  -0.448  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.749  -1.153   0.733  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.539  -2.833  -0.480  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.706  -2.392   0.116  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.226   0.048   0.208  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.601   0.350   1.413  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.678   0.564  -0.983  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.035   0.470  -2.423  1.00  0.00           C  
HETATM   11  C   UNL     1       0.246   2.483   0.287  1.00  0.00           C  
HETATM   12  C   UNL     1       1.471   1.615   0.164  1.00  0.00           C  
HETATM   13  C   UNL     1       4.943  -0.637  -0.568  1.00  0.00           C  
HETATM   14  C   UNL     1       6.087  -0.251   0.133  1.00  0.00           C  
HETATM   15  C   UNL     1       4.975   1.754   0.846  1.00  0.00           C  
HETATM   16 CL   UNL     1      -8.222  -0.601   1.467  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -1.453   1.158   1.410  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.900   1.425   2.465  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.975  -0.140  -2.886  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.131   1.182  -3.121  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.243   1.722  -2.340  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.541   1.359  -0.933  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.954   1.642   0.257  1.00  0.00           N  
HETATM   24  O   UNL     1       1.354   0.412   0.062  1.00  0.00           O  
HETATM   25  N   UNL     1       2.697   2.174   0.169  1.00  0.00           N  
HETATM   26  C   UNL     1       3.835   1.364   0.152  1.00  0.00           C  
HETATM   27  C   UNL     1       3.826   0.170  -0.559  1.00  0.00           C  
HETATM   28  C   UNL     1       6.095   0.951   0.841  1.00  0.00           C  
HETATM   29  C   UNL     1       7.287  -1.115   0.125  1.00  0.00           C  
HETATM   30  N   UNL     1       8.462  -0.869   0.757  1.00  0.00           N  
HETATM   31  N   UNL     1       9.282  -1.970   0.454  1.00  0.00           N  
HETATM   32  N   UNL     1       8.589  -2.757  -0.295  1.00  0.00           N  
HETATM   33  N   UNL     1       7.416  -2.271  -0.491  1.00  0.00           N  
HETATM   34  H   UNL     1      -5.656   0.610   1.249  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.491  -2.398  -0.907  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.511  -3.800  -0.960  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.591  -3.010   0.089  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.995  -0.034   2.343  1.00  0.00           H  
HETATM   39  H   UNL     1       0.282   3.031   1.229  1.00  0.00           H  
HETATM   40  H   UNL     1       0.216   3.189  -0.543  1.00  0.00           H  
HETATM   41  H   UNL     1       4.936  -1.565  -1.121  1.00  0.00           H  
HETATM   42  H   UNL     1       4.979   2.683   1.398  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.418   2.338  -2.664  1.00  0.00           H  
HETATM   44  H   UNL     1       2.789   3.140   0.183  1.00  0.00           H  
HETATM   45  H   UNL     1       2.943  -0.126  -1.106  1.00  0.00           H  
HETATM   46  H   UNL     1       6.978   1.253   1.385  1.00  0.00           H  
HETATM   47  H   UNL     1       8.688  -0.098   1.302  1.00  0.00           H  
CONECT    1    3    3    2    7                                       
CONECT    2    4    4    1   34                                       
CONECT    3    5    1    1   35                                       
CONECT    4    6   16    2    2                                       
CONECT    5    6    6    3   36                                       
CONECT    6    5    5    4   37                                       
CONECT    7    8    8    1    9                                       
CONECT    8   17    7    7   38                                       
CONECT    9    7   22   22   10                                       
CONECT   10    9   19   19   20                                       
CONECT   11   12   23   39   40                                       
CONECT   12   25   24   24   11                                       
CONECT   13   14   14   27   41                                       
CONECT   14   29   13   13   28                                       
CONECT   15   28   28   26   42                                       
CONECT   16    4                                                      
CONECT   17   18   18    8   23                                       
CONECT   18   17   17                                                 
CONECT   19   10   10                                                 
CONECT   20   10   21   21                                            
CONECT   21   22   20   20   43                                       
CONECT   22   23    9    9   21                                       
CONECT   23   17   11   22                                            
CONECT   24   12   12                                                 
CONECT   25   26   12   44                                            
CONECT   26   27   27   15   25                                       
CONECT   27   13   26   26   45                                       
CONECT   28   14   15   15   46                                       
CONECT   29   30   33   33   14                                       
CONECT   30   31   29   47                                            
CONECT   31   32   32   30                                            
CONECT   32   31   31   33                                            
CONECT   33   32   29   29                                            
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   21                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   30                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
