COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.231  -2.928   0.142  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.531  -2.696   0.140  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.003  -1.458   0.076  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.093  -0.387   0.009  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.730  -0.672   0.014  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.347  -1.962   0.087  1.00  0.00           N  
HETATM    7  S   UNL     1      -5.346   1.347  -0.083  1.00  0.00           S  
HETATM    8  C   UNL     1      -3.678   1.679  -0.115  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.936   0.549  -0.060  1.00  0.00           C  
HETATM   10  N   UNL     1      -7.368  -1.223   0.074  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.467   0.552  -0.072  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.856  -0.499  -0.019  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.796   1.719  -0.141  1.00  0.00           N  
HETATM   14  C   UNL     1       0.601   1.731  -0.034  1.00  0.00           C  
HETATM   15  C   UNL     1       1.362   0.826  -0.762  1.00  0.00           C  
HETATM   16  C   UNL     1       2.747   0.842  -0.653  1.00  0.00           C  
HETATM   17  C   UNL     1       3.366   1.762   0.183  1.00  0.00           C  
HETATM   18  C   UNL     1       2.606   2.662   0.908  1.00  0.00           C  
HETATM   19  C   UNL     1       1.227   2.653   0.798  1.00  0.00           C  
HETATM   20  N   UNL     1       3.518  -0.069  -1.385  1.00  0.00           N  
HETATM   21  F   UNL     1       0.757  -0.068  -1.574  1.00  0.00           F  
HETATM   22  F   UNL     1       0.488   3.537   1.503  1.00  0.00           F  
HETATM   23  S   UNL     1       4.898  -0.704  -0.725  1.00  0.00           S  
HETATM   24  O   UNL     1       5.357  -1.632  -1.699  1.00  0.00           O  
HETATM   25  O   UNL     1       5.674   0.433  -0.373  1.00  0.00           O  
HETATM   26  C   UNL     1       4.329  -1.572   0.763  1.00  0.00           C  
HETATM   27  C   UNL     1       5.527  -2.210   1.470  1.00  0.00           C  
HETATM   28  C   UNL     1       5.048  -2.942   2.725  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.884  -3.949   0.196  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.261   2.674  -0.173  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.988  -1.967   0.120  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.704  -0.314   0.027  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.280   2.550  -0.266  1.00  0.00           H  
HETATM   34  H   UNL     1       4.442   1.774   0.269  1.00  0.00           H  
HETATM   35  H   UNL     1       3.090   3.376   1.557  1.00  0.00           H  
HETATM   36  H   UNL     1       3.244  -0.328  -2.278  1.00  0.00           H  
HETATM   37  H   UNL     1       3.846  -0.863   1.435  1.00  0.00           H  
HETATM   38  H   UNL     1       3.618  -2.348   0.482  1.00  0.00           H  
HETATM   39  H   UNL     1       6.010  -2.919   0.798  1.00  0.00           H  
HETATM   40  H   UNL     1       6.238  -1.433   1.752  1.00  0.00           H  
HETATM   41  H   UNL     1       4.565  -2.233   3.397  1.00  0.00           H  
HETATM   42  H   UNL     1       4.337  -3.718   2.444  1.00  0.00           H  
HETATM   43  H   UNL     1       5.901  -3.396   3.229  1.00  0.00           H  
CONECT    1    6    6    2   29                                       
CONECT    2    1    3    3                                            
CONECT    3    2    2    4   10                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    9    6                                       
CONECT    6    1    1    5                                            
CONECT    7    4    8                                                 
CONECT    8    7    9    9   30                                       
CONECT    9    5    8    8   11                                       
CONECT   10    3   31   32                                            
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   33                                            
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   21   16                                       
CONECT   16   15   20   17   17                                       
CONECT   17   16   16   18   34                                       
CONECT   18   17   19   19   35                                       
CONECT   19   14   18   18   22                                       
CONECT   20   16   23   36                                            
CONECT   21   15                                                      
CONECT   22   19                                                      
CONECT   23   20   25   25   26                                       
CONECT   23   24   24                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27   37   38                                       
CONECT   27   26   28   39   40                                       
CONECT   28   27   41   42   43                                       
CONECT   29    1                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   13                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   26                                                      
CONECT   38   26                                                      
CONECT   39   27                                                      
CONECT   40   27                                                      
CONECT   41   28                                                      
CONECT   42   28                                                      
CONECT   43   28                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
