COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.634   3.146  -0.974  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.614   2.046  -0.828  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.888   1.766  -1.758  1.00  0.00           O  
HETATM    4  N   UNL     1      -4.509   1.375   0.336  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.618   0.300   0.446  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.845   0.151   1.590  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.967  -0.911   1.696  1.00  0.00           C  
HETATM    8 CL   UNL     1      -2.980   1.299   2.886  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -3.510  -0.623  -0.587  1.00  0.00           C  
HETATM   10 CL   UNL     1      -4.478  -0.445  -2.016  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -2.630  -1.683  -0.474  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.858  -1.825   0.664  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.899  -2.982   0.783  1.00  0.00           C  
HETATM   14  N   UNL     1       0.405  -2.592   0.243  1.00  0.00           N  
HETATM   15  C   UNL     1       1.446  -3.491   0.244  1.00  0.00           C  
HETATM   16  N   UNL     1       1.242  -4.723   0.612  1.00  0.00           N  
HETATM   17  N   UNL     1       2.708  -3.086  -0.146  1.00  0.00           N  
HETATM   18  C   UNL     1       2.949  -1.786  -0.404  1.00  0.00           C  
HETATM   19  O   UNL     1       2.090  -0.956  -0.194  1.00  0.00           O  
HETATM   20  C   UNL     1       4.288  -1.362  -0.952  1.00  0.00           C  
HETATM   21  N   UNL     1       4.299   0.090  -1.144  1.00  0.00           N  
HETATM   22  C   UNL     1       4.598   1.015  -0.169  1.00  0.00           C  
HETATM   23  C   UNL     1       4.951   0.912   1.173  1.00  0.00           C  
HETATM   24  C   UNL     1       5.196   2.053   1.906  1.00  0.00           C  
HETATM   25  C   UNL     1       5.093   3.307   1.319  1.00  0.00           C  
HETATM   26  C   UNL     1       4.747   3.431   0.003  1.00  0.00           C  
HETATM   27  C   UNL     1       4.496   2.288  -0.758  1.00  0.00           C  
HETATM   28  C   UNL     1       4.113   2.058  -2.154  1.00  0.00           C  
HETATM   29  C   UNL     1       4.019   0.730  -2.321  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.571   3.569  -1.977  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.633   2.739  -0.814  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.437   3.925  -0.238  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.050   1.637   1.097  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.365  -1.027   2.585  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.545  -2.401  -1.276  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.791  -3.258   1.832  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.286  -3.833   0.222  1.00  0.00           H  
HETATM   38  H   UNL     1       0.535  -1.701  -0.116  1.00  0.00           H  
HETATM   39  H   UNL     1       1.957  -5.374   0.544  1.00  0.00           H  
HETATM   40  H   UNL     1       3.420  -3.739  -0.235  1.00  0.00           H  
HETATM   41  H   UNL     1       5.073  -1.641  -0.250  1.00  0.00           H  
HETATM   42  H   UNL     1       4.462  -1.856  -1.908  1.00  0.00           H  
HETATM   43  H   UNL     1       5.033  -0.059   1.638  1.00  0.00           H  
HETATM   44  H   UNL     1       5.470   1.971   2.947  1.00  0.00           H  
HETATM   45  H   UNL     1       5.288   4.191   1.908  1.00  0.00           H  
HETATM   46  H   UNL     1       4.668   4.410  -0.446  1.00  0.00           H  
HETATM   47  H   UNL     1       3.944   2.814  -2.906  1.00  0.00           H  
HETATM   48  H   UNL     1       3.753   0.239  -3.245  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   33                                            
CONECT    5    4    9    9    6                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6   12   34                                       
CONECT    8    6                                                      
CONECT    9   10    5    5   11                                       
CONECT   10    9                                                      
CONECT   11    9   12   12   35                                       
CONECT   12   11   11    7   13                                       
CONECT   13   12   14   36   37                                       
CONECT   14   13   15   38                                            
CONECT   15   14   17   16   16                                       
CONECT   16   15   15   39                                            
CONECT   17   18   15   40                                            
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   41   42                                       
CONECT   21   22   29   20                                            
CONECT   22   27   23   23   21                                       
CONECT   23   24   22   22   43                                       
CONECT   24   25   25   23   44                                       
CONECT   25   26   24   24   45                                       
CONECT   26   25   27   27   46                                       
CONECT   27   26   26   28   22                                       
CONECT   28   27   29   29   47                                       
CONECT   29   28   28   21   48                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
