COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.201  -1.579  -0.203  1.00  0.00           O  
HETATM    2  C   UNL     1       3.827  -0.428  -0.080  1.00  0.00           C  
HETATM    3  N   UNL     1       4.729   0.572  -0.037  1.00  0.00           N  
HETATM    4  C   UNL     1       6.160   0.274  -0.140  1.00  0.00           C  
HETATM    5  C   UNL     1       6.959   1.576  -0.065  1.00  0.00           C  
HETATM    6  C   UNL     1       8.453   1.265  -0.173  1.00  0.00           C  
HETATM    7  N   UNL     1       9.220   2.515  -0.101  1.00  0.00           N  
HETATM    8  C   UNL     1       2.384  -0.127   0.018  1.00  0.00           C  
HETATM    9  C   UNL     1       1.347  -1.065  -0.018  1.00  0.00           C  
HETATM   10  C   UNL     1       1.409  -2.557  -0.200  1.00  0.00           C  
HETATM   11  C   UNL     1       0.278  -3.267   0.545  1.00  0.00           C  
HETATM   12  N   UNL     1       1.852   1.076   0.160  1.00  0.00           N  
HETATM   13  N   UNL     1       0.454   0.941   0.217  1.00  0.00           N  
HETATM   14  C   UNL     1       0.164  -0.368   0.126  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.098  -1.128   0.187  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.413  -0.776   0.119  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.135  -1.923   0.207  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.243  -2.996   0.359  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.030  -2.542   0.371  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.918   0.510  -0.015  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.289   0.706  -0.198  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.911   1.822   0.347  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.269   2.013   0.165  1.00  0.00           C  
HETATM   24  F   UNL     1      -6.876   3.098   0.694  1.00  0.00           F  
HETATM   25  C   UNL     1      -7.007   1.092  -0.561  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.389  -0.019  -1.104  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.032  -0.211  -0.930  1.00  0.00           C  
HETATM   28  H   UNL     1       4.431   1.490   0.061  1.00  0.00           H  
HETATM   29  H   UNL     1       6.454  -0.381   0.680  1.00  0.00           H  
HETATM   30  H   UNL     1       6.360  -0.221  -1.090  1.00  0.00           H  
HETATM   31  H   UNL     1       6.664   2.231  -0.885  1.00  0.00           H  
HETATM   32  H   UNL     1       6.759   2.071   0.885  1.00  0.00           H  
HETATM   33  H   UNL     1       8.747   0.610   0.647  1.00  0.00           H  
HETATM   34  H   UNL     1       8.653   0.769  -1.123  1.00  0.00           H  
HETATM   35  H   UNL     1       9.003   3.025   0.743  1.00  0.00           H  
HETATM   36  H   UNL     1      10.211   2.336  -0.169  1.00  0.00           H  
HETATM   37  H   UNL     1       1.334  -2.788  -1.263  1.00  0.00           H  
HETATM   38  H   UNL     1       2.365  -2.921   0.175  1.00  0.00           H  
HETATM   39  H   UNL     1       0.179  -4.282   0.160  1.00  0.00           H  
HETATM   40  H   UNL     1       0.523  -3.312   1.607  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.187   1.664   0.308  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.102  -1.989   0.171  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.319   1.273   0.018  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.336   2.540   0.914  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.550  -1.077  -1.359  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.067   1.243  -0.703  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.967  -0.735  -1.669  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4   28                                            
CONECT    4    3    5   29   30                                       
CONECT    5    4    6   31   32                                       
CONECT    6    5    7   33   34                                       
CONECT    7    6   35   36                                            
CONECT    8    2    9   12   12                                       
CONECT    9    8   10   14   14                                       
CONECT   10    9   11   37   38                                       
CONECT   11   10   19   39   40                                       
CONECT   12    8    8   13                                            
CONECT   13   12   14   41                                            
CONECT   14    9    9   13   15                                       
CONECT   15   14   16   16   19                                       
CONECT   16   15   15   17   20                                       
CONECT   17   16   18   42                                            
CONECT   18   17   19   19                                            
CONECT   19   11   15   18   18                                       
CONECT   20   16   21   43                                            
CONECT   21   20   22   27   27                                       
CONECT   22   21   23   23   44                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23                                                      
CONECT   25   23   26   26   46                                       
CONECT   26   25   25   27   47                                       
CONECT   27   21   21   26   45                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   27                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
