COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.319   0.777   0.139  1.00  0.00           C  
HETATM    2  C   UNL     1       6.148  -2.332  -0.764  1.00  0.00           C  
HETATM    3  C   UNL     1       7.110  -0.215   0.148  1.00  0.00           C  
HETATM    4  C   UNL     1       5.998  -0.220  -2.089  1.00  0.00           C  
HETATM    5  C   UNL     1       2.631   2.451   0.751  1.00  0.00           C  
HETATM    6  C   UNL     1       2.190  -0.010   1.085  1.00  0.00           C  
HETATM    7  O   UNL     1       5.086   1.677  -0.141  1.00  0.00           O  
HETATM    8  N   UNL     1       4.689  -0.506  -0.042  1.00  0.00           N  
HETATM    9  C   UNL     1       5.972  -0.815  -0.680  1.00  0.00           C  
HETATM   10  N   UNL     1       3.099   1.062   0.637  1.00  0.00           N  
HETATM   11  C   UNL     1       0.809   0.342   0.583  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.308  -0.457   0.592  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.403  -1.840   1.090  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.168  -2.873   0.257  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.692  -2.049   2.252  1.00  0.00           O  
HETATM   16  C   UNL     1       1.410   2.647  -0.153  1.00  0.00           C  
HETATM   17  N   UNL     1       0.477   1.528   0.041  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.877   1.514  -0.303  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.390   0.344   0.007  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.794  -0.086  -0.197  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.080  -1.410  -0.526  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.833   0.832  -0.054  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.140   0.428  -0.244  1.00  0.00           C  
HETATM   24 CL   UNL     1      -6.435   1.569  -0.068  1.00  0.00          Cl  
HETATM   25  C   UNL     1      -5.418  -0.889  -0.577  1.00  0.00           C  
HETATM   26  F   UNL     1      -6.697  -1.281  -0.763  1.00  0.00           F  
HETATM   27  C   UNL     1      -4.388  -1.805  -0.715  1.00  0.00           C  
HETATM   28  H   UNL     1       6.129  -2.757   0.240  1.00  0.00           H  
HETATM   29  H   UNL     1       5.337  -2.760  -1.354  1.00  0.00           H  
HETATM   30  H   UNL     1       7.102  -2.562  -1.238  1.00  0.00           H  
HETATM   31  H   UNL     1       7.092  -0.639   1.152  1.00  0.00           H  
HETATM   32  H   UNL     1       8.065  -0.444  -0.326  1.00  0.00           H  
HETATM   33  H   UNL     1       6.985   0.866   0.208  1.00  0.00           H  
HETATM   34  H   UNL     1       6.952  -0.449  -2.563  1.00  0.00           H  
HETATM   35  H   UNL     1       5.187  -0.647  -2.679  1.00  0.00           H  
HETATM   36  H   UNL     1       5.873   0.862  -2.029  1.00  0.00           H  
HETATM   37  H   UNL     1       2.355   2.659   1.785  1.00  0.00           H  
HETATM   38  H   UNL     1       3.426   3.130   0.442  1.00  0.00           H  
HETATM   39  H   UNL     1       2.506  -0.965   0.666  1.00  0.00           H  
HETATM   40  H   UNL     1       2.188  -0.064   2.174  1.00  0.00           H  
HETATM   41  H   UNL     1       4.107  -1.225   0.249  1.00  0.00           H  
HETATM   42  H   UNL     1       0.063  -2.706  -0.670  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.230  -3.784   0.585  1.00  0.00           H  
HETATM   44  H   UNL     1       0.913   3.583   0.103  1.00  0.00           H  
HETATM   45  H   UNL     1       1.729   2.678  -1.195  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.277  -2.125  -0.634  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.617   1.858   0.206  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.609  -2.831  -0.970  1.00  0.00           H  
CONECT    1   10    7    7    8                                       
CONECT    2    9   28   29   30                                       
CONECT    3    9   31   32   33                                       
CONECT    4    9   34   35   36                                       
CONECT    5   16   10   37   38                                       
CONECT    6   11   10   39   40                                       
CONECT    7    1    1                                                 
CONECT    8    1    9   41                                            
CONECT    9    8    3    4    2                                       
CONECT   10    5    6    1                                            
CONECT   11   17   12   12    6                                       
CONECT   12   19   11   11   13                                       
CONECT   13   14   12   15   15                                       
CONECT   14   13   42   43                                            
CONECT   15   13   13                                                 
CONECT   16   17    5   44   45                                       
CONECT   17   18   16   11                                            
CONECT   18   19   19   17                                            
CONECT   19   20   18   18   12                                       
CONECT   20   21   19   22   22                                       
CONECT   21   27   27   20   46                                       
CONECT   22   20   20   23   47                                       
CONECT   23   25   25   22   24                                       
CONECT   24   23                                                      
CONECT   25   27   26   23   23                                       
CONECT   26   25                                                      
CONECT   27   21   21   25   48                                       
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
