COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.626   0.003  -0.003  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.207  -1.043  -0.004  1.00  0.00           C  
HETATM    3  O   UNL     1       4.453  -0.968  -0.007  1.00  0.00           O  
HETATM    4  N   UNL     1      -4.491  -0.541  -0.006  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.670  -0.888  -0.003  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.229   1.633   0.002  1.00  0.00           N  
HETATM    7  C   UNL     1       4.203   0.221  -0.005  1.00  0.00           C  
HETATM    8  C   UNL     1       5.301   1.206  -0.004  1.00  0.00           C  
HETATM    9  F   UNL     1      -9.953  -0.406   1.323  1.00  0.00           F  
HETATM   10  C   UNL     1      -9.523  -0.232   0.003  1.00  0.00           C  
HETATM   11  F   UNL     1      -9.521  -1.467  -0.654  1.00  0.00           F  
HETATM   12  F   UNL     1     -10.389   0.646  -0.658  1.00  0.00           F  
HETATM   13  C   UNL     1      -8.129   0.340   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.040  -0.507   0.002  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.757   0.018  -0.001  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.594   0.488  -0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.569   1.411   0.002  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.682   2.255   0.004  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.949   1.716   0.004  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.218   0.343  -0.001  1.00  0.00           N  
HETATM   21  O   UNL     1      -2.386  -1.872  -0.005  1.00  0.00           O  
HETATM   22  C   UNL     1       1.888  -0.285  -0.004  1.00  0.00           C  
HETATM   23  S   UNL     1       2.091  -2.033  -0.007  1.00  0.00           S  
HETATM   24  C   UNL     1       0.395  -2.250  -0.006  1.00  0.00           C  
HETATM   25  N   UNL     1       2.922   0.641  -0.004  1.00  0.00           N  
HETATM   26  C   UNL     1       5.018   2.574  -0.003  1.00  0.00           C  
HETATM   27  C   UNL     1       6.049   3.489  -0.002  1.00  0.00           C  
HETATM   28  C   UNL     1       7.366   3.058  -0.004  1.00  0.00           C  
HETATM   29  C   UNL     1       7.659   1.709  -0.006  1.00  0.00           C  
HETATM   30  C   UNL     1       6.635   0.774   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       6.921  -0.552   0.004  1.00  0.00           O  
HETATM   32  C   UNL     1       8.303  -0.916   0.008  1.00  0.00           C  
HETATM   33  F   UNL     1       8.417  -2.311   0.012  1.00  0.00           F  
HETATM   34  F   UNL     1       8.925  -0.400  -1.134  1.00  0.00           F  
HETATM   35  F   UNL     1       8.919  -0.395   1.151  1.00  0.00           F  
HETATM   36  H   UNL     1      -4.280  -1.488  -0.008  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.187  -1.577   0.005  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.549   3.327   0.007  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.809   2.369   0.006  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.648   1.128   0.000  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.114  -3.203  -0.007  1.00  0.00           H  
HETATM   42  H   UNL     1       2.722   1.590  -0.002  1.00  0.00           H  
HETATM   43  H   UNL     1       3.993   2.915  -0.002  1.00  0.00           H  
HETATM   44  H   UNL     1       5.829   4.546  -0.001  1.00  0.00           H  
HETATM   45  H   UNL     1       8.167   3.782  -0.004  1.00  0.00           H  
HETATM   46  H   UNL     1       8.688   1.381  -0.007  1.00  0.00           H  
CONECT    1    2   22   22                                            
CONECT    2   24   24    5    1                                       
CONECT    3    7    7                                                 
CONECT    4   16   15   36                                            
CONECT    5   20    2   21   21                                       
CONECT    6   17   16   16                                            
CONECT    7    3    3   25    8                                       
CONECT    8    7   30   30   26                                       
CONECT    9   10                                                      
CONECT   10   13   12    9   11                                       
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13   19   19   14   10                                       
CONECT   14   15   15   13   37                                       
CONECT   15   17    4   14   14                                       
CONECT   16    6    6   20    4                                       
CONECT   17   18   18    6   15                                       
CONECT   18   17   17   19   38                                       
CONECT   19   18   13   13   39                                       
CONECT   20   16    5   40                                            
CONECT   21    5    5                                                 
CONECT   22   23    1    1   25                                       
CONECT   23   24   22                                                 
CONECT   24   23    2    2   41                                       
CONECT   25   22    7   42                                            
CONECT   26    8   27   27   43                                       
CONECT   27   26   26   28   44                                       
CONECT   28   29   29   27   45                                       
CONECT   29   30   28   28   46                                       
CONECT   30   31    8    8   29                                       
CONECT   31   32   30                                                 
CONECT   32   34   31   35   33                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36    4                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
