COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       4.717  -4.579   1.334  1.00  0.00           F  
HETATM    2  C   UNL     1       3.900  -4.406   0.211  1.00  0.00           C  
HETATM    3  C   UNL     1       3.420  -2.955   0.149  1.00  0.00           C  
HETATM    4  O   UNL     1       4.538  -2.092  -0.061  1.00  0.00           O  
HETATM    5  C   UNL     1       4.283  -0.758  -0.141  1.00  0.00           C  
HETATM    6  C   UNL     1       2.986  -0.294  -0.020  1.00  0.00           C  
HETATM    7  C   UNL     1       5.328   0.141  -0.340  1.00  0.00           C  
HETATM    8  O   UNL     1       6.603  -0.316  -0.454  1.00  0.00           O  
HETATM    9  C   UNL     1       7.627   0.660  -0.656  1.00  0.00           C  
HETATM   10  C   UNL     1       5.071   1.501  -0.421  1.00  0.00           C  
HETATM   11  C   UNL     1       3.779   1.970  -0.306  1.00  0.00           C  
HETATM   12  C   UNL     1       2.727   1.075  -0.102  1.00  0.00           C  
HETATM   13  C   UNL     1       1.342   1.576   0.021  1.00  0.00           C  
HETATM   14  N   UNL     1       0.286   0.838   0.212  1.00  0.00           N  
HETATM   15  S   UNL     1       0.855   3.267  -0.059  1.00  0.00           S  
HETATM   16  C   UNL     1      -0.825   2.789   0.179  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.007   3.721   0.243  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.239   4.153   1.692  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.869   1.459   0.297  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.163   0.717   0.512  1.00  0.00           C  
HETATM   21  S   UNL     1      -2.878   0.276  -1.091  1.00  0.00           S  
HETATM   22  C   UNL     1      -4.337  -0.556  -0.556  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.167  -1.050  -1.463  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.573  -0.675   0.742  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.661  -1.301   1.182  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.898  -1.426   2.543  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.557  -1.834   0.259  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.278  -1.684  -1.096  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.141  -2.198  -2.051  1.00  0.00           N  
HETATM   30  H   UNL     1       4.466  -4.641  -0.690  1.00  0.00           H  
HETATM   31  H   UNL     1       3.039  -5.071   0.283  1.00  0.00           H  
HETATM   32  H   UNL     1       2.713  -2.841  -0.673  1.00  0.00           H  
HETATM   33  H   UNL     1       2.930  -2.694   1.087  1.00  0.00           H  
HETATM   34  H   UNL     1       2.175  -0.990   0.137  1.00  0.00           H  
HETATM   35  H   UNL     1       8.594   0.163  -0.730  1.00  0.00           H  
HETATM   36  H   UNL     1       7.429   1.209  -1.577  1.00  0.00           H  
HETATM   37  H   UNL     1       7.639   1.354   0.185  1.00  0.00           H  
HETATM   38  H   UNL     1       5.884   2.195  -0.575  1.00  0.00           H  
HETATM   39  H   UNL     1       3.581   3.030  -0.370  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.811   4.600  -0.371  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.894   3.209  -0.130  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.094   4.827   1.739  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.435   3.274   2.306  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.352   4.665   2.065  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.971  -0.190   1.086  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.859   1.352   1.059  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.692  -1.886   2.857  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.270  -1.052   3.180  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.448  -2.348   0.587  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.946  -2.666  -1.777  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.941  -2.091  -2.994  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1   30   31                                       
CONECT    3    4    2   32   33                                       
CONECT    4    5    3                                                 
CONECT    5    7    7    6    4                                       
CONECT    6   12   12    5   34                                       
CONECT    7   10    8    5    5                                       
CONECT    8    9    7                                                 
CONECT    9    8   35   36   37                                       
CONECT   10   11   11    7   38                                       
CONECT   11   10   10   12   39                                       
CONECT   12   11   13    6    6                                       
CONECT   13   15   12   14   14                                       
CONECT   14   13   13   19                                            
CONECT   15   16   13                                                 
CONECT   16   17   15   19   19                                       
CONECT   17   18   16   40   41                                       
CONECT   18   17   42   43   44                                       
CONECT   19   16   16   14   20                                       
CONECT   20   19   21   45   46                                       
CONECT   21   22   20                                                 
CONECT   22   24   24   23   21                                       
CONECT   23   28   28   22                                            
CONECT   24   25   22   22                                            
CONECT   25   26   27   27   24                                       
CONECT   26   25   47   48                                            
CONECT   27   25   25   28   49                                       
CONECT   28   27   29   23   23                                       
CONECT   29   28   50   51                                            
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
