COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -2.405   2.641   0.198  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -0.697   2.372   0.040  1.00  0.00           C  
HETATM    3  C   UNL     1       0.154   3.429  -0.229  1.00  0.00           C  
HETATM    4  N   UNL     1       1.454   3.250  -0.354  1.00  0.00           N  
HETATM    5  C   UNL     1       2.009   2.053  -0.230  1.00  0.00           C  
HETATM    6  N   UNL     1       3.308   1.595  -0.311  1.00  0.00           N  
HETATM    7  C   UNL     1       3.279   0.243  -0.093  1.00  0.00           C  
HETATM    8  C   UNL     1       4.460  -0.646  -0.092  1.00  0.00           C  
HETATM    9  C   UNL     1       5.767  -0.266  -0.306  1.00  0.00           C  
HETATM   10  N   UNL     1       6.527  -1.374  -0.221  1.00  0.00           N  
HETATM   11  C   UNL     1       7.982  -1.430  -0.383  1.00  0.00           C  
HETATM   12  N   UNL     1       5.691  -2.463   0.051  1.00  0.00           N  
HETATM   13  C   UNL     1       4.460  -2.038   0.135  1.00  0.00           C  
HETATM   14  C   UNL     1       3.248  -2.888   0.422  1.00  0.00           C  
HETATM   15  N   UNL     1       2.044  -0.144   0.115  1.00  0.00           N  
HETATM   16  C   UNL     1       1.217   0.927   0.043  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.172   1.092   0.187  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.998   0.006   0.463  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.006  -0.184  -0.611  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.107  -1.026   0.080  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.455  -0.832  -0.617  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.448  -1.728  -0.019  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.716  -1.731  -0.477  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.737  -2.653   0.138  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.035  -0.991  -1.383  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.142  -0.442   1.511  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.770   0.229   1.705  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.256   4.422  -0.339  1.00  0.00           H  
HETATM   29  H   UNL     1       4.096   2.131  -0.490  1.00  0.00           H  
HETATM   30  H   UNL     1       6.117   0.735  -0.507  1.00  0.00           H  
HETATM   31  H   UNL     1       8.462  -1.284   0.585  1.00  0.00           H  
HETATM   32  H   UNL     1       8.266  -2.402  -0.786  1.00  0.00           H  
HETATM   33  H   UNL     1       8.302  -0.645  -1.068  1.00  0.00           H  
HETATM   34  H   UNL     1       2.833  -3.257  -0.516  1.00  0.00           H  
HETATM   35  H   UNL     1       3.536  -3.732   1.048  1.00  0.00           H  
HETATM   36  H   UNL     1       2.499  -2.289   0.940  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.405   0.777  -0.938  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.575  -0.728  -1.451  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.252  -0.223   2.551  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.900   1.298   1.875  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.832  -2.081   0.097  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.781   0.202  -0.498  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.352  -1.060  -1.678  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.940   0.295   1.599  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.280  -1.239   2.242  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.193  -2.320   0.706  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.269  -3.236   0.931  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.554  -2.064   0.554  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.126  -3.325  -0.626  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3   17   17                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6   16   16                                       
CONECT    6    5    7   29                                            
CONECT    7    6    8   15   15                                       
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   30                                       
CONECT   10    9   11   12                                            
CONECT   11   10   31   32   33                                       
CONECT   12   10   13   13                                            
CONECT   13    8   12   12   14                                       
CONECT   14   13   34   35   36                                       
CONECT   15    7    7   16                                            
CONECT   16    5    5   15   17                                       
CONECT   17    2    2   16   18                                       
CONECT   18   17   19   27                                            
CONECT   19   18   20   37   38                                       
CONECT   20   19   21   26   41                                       
CONECT   21   20   22   42   43                                       
CONECT   22   21   23   46                                            
CONECT   23   22   24   25   25                                       
CONECT   24   23   47   48   49                                       
CONECT   25   23   23                                                 
CONECT   26   20   27   44   45                                       
CONECT   27   18   26   39   40                                       
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   27                                                      
CONECT   40   27                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
