COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.175   0.992   0.006  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.245   0.284   0.321  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.290   2.212  -0.582  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.480   0.756   0.129  1.00  0.00           C  
HETATM    5  N   UNL     1       1.054   0.483   0.329  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.516   2.763  -0.750  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.651   2.027  -0.401  1.00  0.00           C  
HETATM    8  C   UNL     1       2.281   1.046  -0.215  1.00  0.00           C  
HETATM    9  C   UNL     1       3.439   0.743   0.738  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.578  -0.014   0.454  1.00  0.00           N  
HETATM   11  C   UNL     1       0.870   2.942  -1.082  1.00  0.00           C  
HETATM   12  C   UNL     1       2.159   2.551  -0.390  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.628   3.892  -1.201  1.00  0.00           O  
HETATM   14  F   UNL     1       3.671  -0.637   0.766  1.00  0.00           F  
HETATM   15  F   UNL     1       4.591   1.401   0.295  1.00  0.00           F  
HETATM   16  F   UNL     1       3.113   1.187   2.024  1.00  0.00           F  
HETATM   17  O   UNL     1      -5.364  -2.102   0.362  1.00  0.00           O  
HETATM   18  C   UNL     1       1.136  -0.657   1.246  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.872   0.190  -0.216  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.487  -1.068   1.478  1.00  0.00           C  
HETATM   21  C   UNL     1       0.994  -1.959   0.455  1.00  0.00           C  
HETATM   22  O   UNL     1       2.107  -2.103  -0.429  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.062  -2.362   0.891  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.376  -1.169  -0.717  1.00  0.00           C  
HETATM   25  C   UNL     1       2.071  -3.294  -1.219  1.00  0.00           C  
HETATM   26  C   UNL     1       2.775  -3.041  -2.554  1.00  0.00           C  
HETATM   27  C   UNL     1       2.784  -4.423  -0.472  1.00  0.00           C  
HETATM   28  H   UNL     1       0.972   2.749  -2.150  1.00  0.00           H  
HETATM   29  H   UNL     1       0.702   4.009  -0.935  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.639   2.439  -0.541  1.00  0.00           H  
HETATM   31  H   UNL     1       2.485   0.590  -1.183  1.00  0.00           H  
HETATM   32  H   UNL     1       2.100  -0.645   1.755  1.00  0.00           H  
HETATM   33  H   UNL     1       0.336  -0.590   1.982  1.00  0.00           H  
HETATM   34  H   UNL     1       2.192   3.025   0.591  1.00  0.00           H  
HETATM   35  H   UNL     1       3.002   2.908  -0.982  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.589   0.610   0.490  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.746   0.868  -1.060  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.445  -1.222   1.755  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.062  -0.776   2.357  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.132  -3.114   1.677  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.411  -2.726   0.096  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.730  -1.529  -1.517  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.394  -1.059  -1.091  1.00  0.00           H  
HETATM   44  H   UNL     1       0.966  -2.802   1.145  1.00  0.00           H  
HETATM   45  H   UNL     1       0.071  -1.933  -0.124  1.00  0.00           H  
HETATM   46  H   UNL     1       1.035  -3.577  -1.403  1.00  0.00           H  
HETATM   47  H   UNL     1       3.811  -2.758  -2.371  1.00  0.00           H  
HETATM   48  H   UNL     1       2.747  -3.949  -3.157  1.00  0.00           H  
HETATM   49  H   UNL     1       2.267  -2.237  -3.086  1.00  0.00           H  
HETATM   50  H   UNL     1       2.283  -4.603   0.479  1.00  0.00           H  
HETATM   51  H   UNL     1       2.757  -5.331  -1.075  1.00  0.00           H  
HETATM   52  H   UNL     1       3.820  -4.140  -0.289  1.00  0.00           H  
CONECT    1    2    2    3    5                                       
CONECT    2    1    1    4                                            
CONECT    3    1    6   11                                            
CONECT    4    2    7    7   10                                       
CONECT    5    1    8   18                                            
CONECT    6    3    7   13   13                                       
CONECT    7    4    4    6   30                                       
CONECT    8    5    9   12   31                                       
CONECT    9    8   14   15   16                                       
CONECT   10    4   19   20                                            
CONECT   11    3   12   28   29                                       
CONECT   12    8   11   34   35                                       
CONECT   13    6    6                                                 
CONECT   14    9                                                      
CONECT   15    9                                                      
CONECT   16    9                                                      
CONECT   17   23   24                                                 
CONECT   18    5   21   32   33                                       
CONECT   19   10   24   36   37                                       
CONECT   20   10   23   38   39                                       
CONECT   21   18   22   44   45                                       
CONECT   22   21   25                                                 
CONECT   23   17   20   40   41                                       
CONECT   24   17   19   42   43                                       
CONECT   25   22   26   27   46                                       
CONECT   26   25   47   48   49                                       
CONECT   27   25   50   51   52                                       
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
