COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.141  -0.549   0.992  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.436  -1.181   1.409  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.966  -1.421  -0.419  1.00  0.00           C  
HETATM    4  C   UNL     1       4.800  -0.871   0.026  1.00  0.00           C  
HETATM    5  C   UNL     1       4.691   0.022  -1.025  1.00  0.00           C  
HETATM    6  C   UNL     1       3.975   1.192  -0.867  1.00  0.00           C  
HETATM    7  C   UNL     1       3.363   1.472   0.348  1.00  0.00           C  
HETATM    8  C   UNL     1       3.474   0.573   1.401  1.00  0.00           C  
HETATM    9  C   UNL     1       4.192  -0.595   1.237  1.00  0.00           C  
HETATM   10  N   UNL     1       2.638   2.655   0.511  1.00  0.00           N  
HETATM   11  C   UNL     1       0.115   1.589   0.682  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.276   1.552   0.045  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.105   0.565   0.742  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.378   0.359   0.351  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.839   0.992  -0.580  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.426  -0.844   0.517  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.702  -1.471   0.939  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.959  -1.089  -1.310  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.691  -0.798  -0.845  1.00  0.00           C  
HETATM   20  F   UNL     1      -9.205  -1.705  -0.877  1.00  0.00           F  
HETATM   21  S   UNL     1       5.708  -2.366  -0.182  1.00  0.00           S  
HETATM   22  O   UNL     1       5.205  -3.279   0.784  1.00  0.00           O  
HETATM   23  O   UNL     1       5.720  -2.638  -1.576  1.00  0.00           O  
HETATM   24  N   UNL     1       7.276  -2.050   0.247  1.00  0.00           N  
HETATM   25  S   UNL     1       1.142   2.811  -0.181  1.00  0.00           S  
HETATM   26  O   UNL     1       0.736   4.130   0.156  1.00  0.00           O  
HETATM   27  O   UNL     1       1.340   2.429  -1.535  1.00  0.00           O  
HETATM   28  H   UNL     1      -3.800  -1.000   1.779  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.230  -1.222   2.468  1.00  0.00           H  
HETATM   30  H   UNL     1       5.167  -0.196  -1.969  1.00  0.00           H  
HETATM   31  H   UNL     1       3.891   1.889  -1.688  1.00  0.00           H  
HETATM   32  H   UNL     1       3.000   0.788   2.348  1.00  0.00           H  
HETATM   33  H   UNL     1       4.278  -1.295   2.055  1.00  0.00           H  
HETATM   34  H   UNL     1       3.012   3.385   1.029  1.00  0.00           H  
HETATM   35  H   UNL     1       0.026   1.866   1.732  1.00  0.00           H  
HETATM   36  H   UNL     1       0.577   0.605   0.603  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.738   2.536   0.124  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.187   1.275  -1.005  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.738   0.060   1.484  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.486  -1.739   1.632  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.165  -1.058  -2.370  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.907  -0.535  -1.539  1.00  0.00           H  
HETATM   43  H   UNL     1       7.529  -1.162   0.543  1.00  0.00           H  
HETATM   44  H   UNL     1       7.943  -2.754   0.201  1.00  0.00           H  
CONECT    1   14   16   28                                            
CONECT    2   16   17   17   29                                       
CONECT    3   18   18   17   20                                       
CONECT    4   21    9    9    5                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5    7   31                                       
CONECT    7    8    8    6   10                                       
CONECT    8    9    7    7   32                                       
CONECT    9    4    4    8   33                                       
CONECT   10    7   25   34                                            
CONECT   11   25   12   35   36                                       
CONECT   12   13   11   37   38                                       
CONECT   13   12   14   39                                            
CONECT   14   13   15   15    1                                       
CONECT   15   14   14                                                 
CONECT   16    1   19   19    2                                       
CONECT   17    2    2    3   40                                       
CONECT   18   19    3    3   41                                       
CONECT   19   16   16   18   42                                       
CONECT   20    3                                                      
CONECT   21   22   22   23   23                                       
CONECT   21    4   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   43   44                                            
CONECT   25   10   26   26   27                                       
CONECT   25   27   11                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
