COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.784  -1.618  -0.433  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.669   0.703   0.222  1.00  0.00           C  
HETATM    3  C   UNL     1       1.686   1.391  -0.234  1.00  0.00           C  
HETATM    4  C   UNL     1       3.833   2.400  -0.479  1.00  0.00           C  
HETATM    5  C   UNL     1       4.374   1.288   0.185  1.00  0.00           C  
HETATM    6  C   UNL     1       3.518   0.273   0.614  1.00  0.00           C  
HETATM    7  C   UNL     1       5.826   1.197   0.430  1.00  0.00           C  
HETATM    8  C   UNL     1       2.480   2.443  -0.685  1.00  0.00           C  
HETATM    9  C   UNL     1       7.870  -0.132   0.698  1.00  0.00           C  
HETATM   10  C   UNL     1       8.609  -0.818  -0.456  1.00  0.00           C  
HETATM   11  C   UNL     1       6.562  -1.837  -1.265  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.565  -0.606   0.086  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.974  -1.789   0.543  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.594  -1.839   0.647  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.469   0.336  -0.106  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.128   1.707   0.151  1.00  0.00           C  
HETATM   17  C   UNL     1       5.735  -1.187  -0.140  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.793  -0.327  -0.281  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.067   0.808   0.101  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.140  -1.529  -0.549  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.038  -0.501  -0.044  1.00  0.00           C  
HETATM   22  F   UNL     1      -2.732  -2.857   0.875  1.00  0.00           F  
HETATM   23  N   UNL     1       0.316   1.429  -0.446  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.784   0.426  -0.226  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.870   1.868   0.315  1.00  0.00           N  
HETATM   26  N   UNL     1       6.452   0.007   0.333  1.00  0.00           N  
HETATM   27  N   UNL     1       7.931  -2.078  -0.787  1.00  0.00           N  
HETATM   28  N   UNL     1       0.119  -0.774   0.313  1.00  0.00           N  
HETATM   29  N   UNL     1       2.223   0.352   0.391  1.00  0.00           N  
HETATM   30  O   UNL     1       6.458   2.194   0.719  1.00  0.00           O  
HETATM   31  S   UNL     1      -8.498   0.114  -0.335  1.00  0.00           S  
HETATM   32  H   UNL     1      -4.286  -2.554  -0.639  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.087   1.562   0.523  1.00  0.00           H  
HETATM   34  H   UNL     1       4.470   3.201  -0.823  1.00  0.00           H  
HETATM   35  H   UNL     1       3.922  -0.588   1.126  1.00  0.00           H  
HETATM   36  H   UNL     1       2.033   3.285  -1.193  1.00  0.00           H  
HETATM   37  H   UNL     1       7.958  -0.737   1.600  1.00  0.00           H  
HETATM   38  H   UNL     1       8.301   0.854   0.874  1.00  0.00           H  
HETATM   39  H   UNL     1       8.608  -0.164  -1.328  1.00  0.00           H  
HETATM   40  H   UNL     1       9.637  -1.025  -0.157  1.00  0.00           H  
HETATM   41  H   UNL     1       6.104  -2.783  -1.554  1.00  0.00           H  
HETATM   42  H   UNL     1       6.593  -1.170  -2.126  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.105  -2.736   0.996  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.864   2.484   0.295  1.00  0.00           H  
HETATM   45  H   UNL     1       4.755  -0.902  -0.524  1.00  0.00           H  
HETATM   46  H   UNL     1       5.618  -1.892   0.683  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.711  -2.395  -0.851  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.093   2.219  -0.831  1.00  0.00           H  
HETATM   49  H   UNL     1       7.932  -2.707   0.002  1.00  0.00           H  
CONECT    1   20   21   21   32                                       
CONECT    2   19   19   21   33                                       
CONECT    3    8    8   29   23                                       
CONECT    4    5    5    8   34                                       
CONECT    5    7    4    4    6                                       
CONECT    6    5   29   29   35                                       
CONECT    7   30   30   26    5                                       
CONECT    8    4    3    3   36                                       
CONECT    9   26   10   37   38                                       
CONECT   10   27    9   39   40                                       
CONECT   11   17   27   41   42                                       
CONECT   12   21   24   24   13                                       
CONECT   13   12   22   14   14                                       
CONECT   14   13   13   28   43                                       
CONECT   15   24   23   28   28                                       
CONECT   16   31   25   25   44                                       
CONECT   17   11   26   45   46                                       
CONECT   18   31   20   20   19                                       
CONECT   19   18   25    2    2                                       
CONECT   20   18   18    1   47                                       
CONECT   21    1    1    2   12                                       
CONECT   22   13                                                      
CONECT   23    3   15   48                                            
CONECT   24   12   12   15                                            
CONECT   25   16   16   19                                            
CONECT   26   17    7    9                                            
CONECT   27   11   10   49                                            
CONECT   28   15   15   14                                            
CONECT   29    6    6    3                                            
CONECT   30    7    7                                                 
CONECT   31   16   18                                                 
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   23                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
