COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.058  -1.666  -0.584  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.322  -2.290  -0.215  1.00  0.00           C  
HETATM    3  C   UNL     1       2.482  -0.391  -0.246  1.00  0.00           C  
HETATM    4  C   UNL     1       3.929  -0.150  -0.177  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.893   0.062   0.122  1.00  0.00           C  
HETATM    6  C   UNL     1       1.516   0.683   0.034  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.729   1.462   0.232  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.431   2.765   0.459  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.132   1.322   0.307  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.481  -1.104   0.763  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.194  -2.274   0.587  1.00  0.00           C  
HETATM   12  N   UNL     1       2.909  -2.647  -0.835  1.00  0.00           N  
HETATM   13  N   UNL     1       4.704   0.871   0.094  1.00  0.00           N  
HETATM   14  C   UNL     1       4.214  -2.524  -0.797  1.00  0.00           C  
HETATM   15  N   UNL     1       0.193   0.436  -0.036  1.00  0.00           N  
HETATM   16 CL   UNL     1      -2.673  -3.730   1.376  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -4.741  -1.136  -0.851  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.032   0.043  -0.688  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.444   1.177  -1.313  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.617   1.082  -2.124  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.647   2.505   0.570  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.598   3.428   0.670  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.736   4.858   0.953  1.00  0.00           C  
HETATM   24  O   UNL     1       1.913   1.795   0.329  1.00  0.00           O  
HETATM   25  C   UNL     1       4.812  -1.293  -0.477  1.00  0.00           C  
HETATM   26  C   UNL     1       6.107  -0.823  -0.349  1.00  0.00           C  
HETATM   27  N   UNL     1       6.042   0.469  -0.008  1.00  0.00           N  
HETATM   28  C   UNL     1       7.200   1.336   0.224  1.00  0.00           C  
HETATM   29  H   UNL     1       0.998  -1.867  -0.640  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.874  -3.208  -0.349  1.00  0.00           H  
HETATM   31  H   UNL     1       0.558   3.199   0.471  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.606  -1.093   1.395  1.00  0.00           H  
HETATM   33  H   UNL     1       4.836  -3.379  -1.016  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.122  -0.451  -0.271  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.621  -1.154  -1.477  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.452   0.354  -2.918  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.459   0.765  -1.509  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.835   2.056  -2.563  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.843   5.406   0.017  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.618   5.023   1.573  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.850   5.211   1.481  1.00  0.00           H  
HETATM   42  H   UNL     1       7.010  -1.397  -0.497  1.00  0.00           H  
HETATM   43  H   UNL     1       7.490   1.813  -0.712  1.00  0.00           H  
HETATM   44  H   UNL     1       6.940   2.101   0.957  1.00  0.00           H  
HETATM   45  H   UNL     1       8.031   0.739   0.601  1.00  0.00           H  
CONECT    1   12    3    3   29                                       
CONECT    2   17   11   11   30                                       
CONECT    3    4    1    1    6                                       
CONECT    4   13   13   25    3                                       
CONECT    5   18   10   10    9                                       
CONECT    6   15    3   24   24                                       
CONECT    7    9   15    8    8                                       
CONECT    8    7    7   22   31                                       
CONECT    9    5    7   21   21                                       
CONECT   10    5    5   11   32                                       
CONECT   11    2    2   10   16                                       
CONECT   12   14   14    1                                            
CONECT   13   27    4    4                                            
CONECT   14   25   12   12   33                                       
CONECT   15    7    6   34                                            
CONECT   16   11                                                      
CONECT   17   18   18    2   35                                       
CONECT   18   17   17   19    5                                       
CONECT   19   20   18                                                 
CONECT   20   19   36   37   38                                       
CONECT   21    9    9   22                                            
CONECT   22   21    8   23                                            
CONECT   23   22   39   40   41                                       
CONECT   24    6    6                                                 
CONECT   25   26   26    4   14                                       
CONECT   26   27   25   25   42                                       
CONECT   27   28   26   13                                            
CONECT   28   27   43   44   45                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   26                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
