COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       7.899  -1.470   1.438  1.00  0.00           F  
HETATM    2  C   UNL     1       7.385  -1.900   0.210  1.00  0.00           C  
HETATM    3  C   UNL     1       5.933  -1.434   0.074  1.00  0.00           C  
HETATM    4  O   UNL     1       5.894  -0.007   0.021  1.00  0.00           O  
HETATM    5  C   UNL     1       4.670   0.573  -0.101  1.00  0.00           C  
HETATM    6  C   UNL     1       3.536  -0.214  -0.167  1.00  0.00           C  
HETATM    7  C   UNL     1       4.559   1.961  -0.153  1.00  0.00           C  
HETATM    8  O   UNL     1       5.675   2.734  -0.083  1.00  0.00           O  
HETATM    9  C   UNL     1       5.488   4.149  -0.142  1.00  0.00           C  
HETATM   10  C   UNL     1       3.312   2.555  -0.276  1.00  0.00           C  
HETATM   11  C   UNL     1       2.176   1.775  -0.348  1.00  0.00           C  
HETATM   12  C   UNL     1       2.281   0.384  -0.292  1.00  0.00           C  
HETATM   13  C   UNL     1       1.065  -0.453  -0.369  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.153  -0.008  -0.489  1.00  0.00           N  
HETATM   15  S   UNL     1       1.032  -2.214  -0.319  1.00  0.00           S  
HETATM   16  C   UNL     1      -0.724  -2.180  -0.467  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.631  -3.383  -0.508  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.113  -0.904  -0.542  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.563  -0.515  -0.676  1.00  0.00           C  
HETATM   20  S   UNL     1      -3.285  -0.303   0.970  1.00  0.00           S  
HETATM   21  C   UNL     1      -4.933   0.135   0.528  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.814   0.383   1.486  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.258   0.214  -0.754  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.491   0.548  -1.126  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.821   0.632  -2.470  1.00  0.00           N  
HETATM   26  C   UNL     1      -7.444   0.815  -0.148  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.068   0.717   1.189  1.00  0.00           C  
HETATM   28  N   UNL     1      -7.984   0.974   2.197  1.00  0.00           N  
HETATM   29  H   UNL     1       7.979  -1.479  -0.601  1.00  0.00           H  
HETATM   30  H   UNL     1       7.423  -2.988   0.161  1.00  0.00           H  
HETATM   31  H   UNL     1       5.505  -1.844  -0.841  1.00  0.00           H  
HETATM   32  H   UNL     1       5.358  -1.782   0.932  1.00  0.00           H  
HETATM   33  H   UNL     1       3.620  -1.290  -0.124  1.00  0.00           H  
HETATM   34  H   UNL     1       6.456   4.646  -0.076  1.00  0.00           H  
HETATM   35  H   UNL     1       5.008   4.413  -1.084  1.00  0.00           H  
HETATM   36  H   UNL     1       4.859   4.468   0.689  1.00  0.00           H  
HETATM   37  H   UNL     1       3.229   3.631  -0.316  1.00  0.00           H  
HETATM   38  H   UNL     1       1.207   2.240  -0.444  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.033  -4.292  -0.431  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.331  -3.339   0.326  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.184  -3.390  -1.447  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.639   0.421  -1.229  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.101  -1.298  -1.210  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.721   0.879  -2.734  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.152   0.445  -3.146  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.453   1.088  -0.419  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.894   1.224   1.973  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.715   0.904   3.126  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1   29   30                                       
CONECT    3    4    2   31   32                                       
CONECT    4    5    3                                                 
CONECT    5    7    7    6    4                                       
CONECT    6   12   12    5   33                                       
CONECT    7   10    8    5    5                                       
CONECT    8    9    7                                                 
CONECT    9    8   34   35   36                                       
CONECT   10   11   11    7   37                                       
CONECT   11   10   10   12   38                                       
CONECT   12   11   13    6    6                                       
CONECT   13   15   12   14   14                                       
CONECT   14   13   13   18                                            
CONECT   15   16   13                                                 
CONECT   16   17   15   18   18                                       
CONECT   17   16   39   40   41                                       
CONECT   18   16   16   14   19                                       
CONECT   19   18   20   42   43                                       
CONECT   20   21   19                                                 
CONECT   21   23   23   22   20                                       
CONECT   22   27   27   21                                            
CONECT   23   24   21   21                                            
CONECT   24   25   26   26   23                                       
CONECT   25   24   44   45                                            
CONECT   26   24   24   27   46                                       
CONECT   27   26   28   22   22                                       
CONECT   28   27   47   48                                            
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
