COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.071   0.576  -0.209  1.00  0.00           C  
HETATM    2  C   UNL     1       0.189   1.326   0.936  1.00  0.00           C  
HETATM    3  C   UNL     1       1.465   1.468   1.398  1.00  0.00           C  
HETATM    4  C   UNL     1       0.965  -0.038  -0.894  1.00  0.00           C  
HETATM    5  C   UNL     1       2.267   0.098  -0.434  1.00  0.00           C  
HETATM    6  N   UNL     1       3.490  -0.371  -0.870  1.00  0.00           N  
HETATM    7  C   UNL     1       5.889  -0.170  -0.095  1.00  0.00           C  
HETATM    8  C   UNL     1       8.116   0.104   0.760  1.00  0.00           C  
HETATM    9  C   UNL     1       7.743  -1.210  -1.214  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.792   0.350  -0.265  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.636   1.437  -0.431  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.017  -2.130  -0.617  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.293  -2.756   0.752  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.803  -2.867   0.967  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.403   0.376   0.216  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.386   0.437  -0.666  1.00  0.00           N  
HETATM   17  O   UNL     1      -2.172   0.343   1.410  1.00  0.00           O  
HETATM   18  C   UNL     1       2.526   0.857   0.722  1.00  0.00           C  
HETATM   19  N   UNL     1       3.865   0.817   0.934  1.00  0.00           N  
HETATM   20  C   UNL     1       4.438   0.097   0.002  1.00  0.00           C  
HETATM   21  C   UNL     1       6.764   0.361   0.853  1.00  0.00           C  
HETATM   22  C   UNL     1       8.605  -0.680  -0.270  1.00  0.00           C  
HETATM   23  C   UNL     1       6.388  -0.960  -1.132  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.514  -0.752  -0.632  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.693  -0.394  -0.993  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.838   0.903  -0.904  1.00  0.00           C  
HETATM   27 CL   UNL     1      -4.276   3.106  -0.117  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -3.664  -4.149   0.812  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.627   1.800   1.462  1.00  0.00           H  
HETATM   30  H   UNL     1       1.656   2.052   2.287  1.00  0.00           H  
HETATM   31  H   UNL     1       0.761  -0.619  -1.781  1.00  0.00           H  
HETATM   32  H   UNL     1       3.649  -0.928  -1.649  1.00  0.00           H  
HETATM   33  H   UNL     1       8.795   0.514   1.493  1.00  0.00           H  
HETATM   34  H   UNL     1       8.131  -1.821  -2.015  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.944  -2.132  -0.808  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.524  -2.708  -1.389  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.860  -2.129   1.532  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.999  -3.313   1.942  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.251  -1.874   0.925  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.236  -3.494   0.188  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.566   0.383  -1.618  1.00  0.00           H  
HETATM   42  H   UNL     1       6.384   0.973   1.657  1.00  0.00           H  
HETATM   43  H   UNL     1       9.665  -0.879  -0.338  1.00  0.00           H  
HETATM   44  H   UNL     1       5.716  -1.375  -1.868  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.730   1.462  -1.147  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.588  -4.070   0.658  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.861  -4.595   1.787  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.097  -4.776   0.032  1.00  0.00           H  
CONECT    1   16    2    2    4                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2   18   18   30                                       
CONECT    4    1    5    5   31                                       
CONECT    5    4    4   18    6                                       
CONECT    6    5   20   32                                            
CONECT    7   20   21   21   23                                       
CONECT    8   21   22   22   33                                       
CONECT    9   22   23   23   34                                       
CONECT   10   15   24   11   11                                       
CONECT   11   10   10   27   26                                       
CONECT   12   24   13   35   36                                       
CONECT   13   12   28   14   37                                       
CONECT   14   13   38   39   40                                       
CONECT   15   16   17   17   10                                       
CONECT   16   15    1   41                                            
CONECT   17   15   15                                                 
CONECT   18    3    3    5   19                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19    6    7                                       
CONECT   21    7    7    8   42                                       
CONECT   22    8    8    9   43                                       
CONECT   23    7    9    9   44                                       
CONECT   24   10   25   12                                            
CONECT   25   24   26   26                                            
CONECT   26   25   25   11   45                                       
CONECT   27   11                                                      
CONECT   28   13   46   47   48                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
