COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.838   1.936  -0.909  1.00  0.00           O  
HETATM    2  C   UNL     1       0.495   0.364   0.487  1.00  0.00           C  
HETATM    3  C   UNL     1       1.733   0.959   0.333  1.00  0.00           C  
HETATM    4  C   UNL     1       3.357  -0.857  -1.879  1.00  0.00           C  
HETATM    5  N   UNL     1       2.549  -3.482   1.025  1.00  0.00           N  
HETATM    6  C   UNL     1       2.985   0.127   0.434  1.00  0.00           C  
HETATM    7  C   UNL     1       4.001   0.762   1.428  1.00  0.00           C  
HETATM    8  C   UNL     1       5.239  -0.039  -0.403  1.00  0.00           C  
HETATM    9  C   UNL     1       3.793   0.190  -0.870  1.00  0.00           C  
HETATM   10  F   UNL     1      -7.805  -1.731   0.170  1.00  0.00           F  
HETATM   11  C   UNL     1      -6.643  -1.051   0.060  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.522  -1.457   0.773  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.386  -0.803   0.675  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.554   0.058  -0.771  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.342   0.723  -0.858  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.263   0.265  -0.104  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.962   0.966  -0.187  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.913   0.529   0.539  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.659   1.130   0.388  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.566   2.493   0.140  1.00  0.00           C  
HETATM   21  C   UNL     1       0.673   3.085  -0.007  1.00  0.00           C  
HETATM   22  C   UNL     1       1.822   2.318   0.086  1.00  0.00           C  
HETATM   23  F   UNL     1       3.034   2.899  -0.058  1.00  0.00           F  
HETATM   24  N   UNL     1       2.694  -1.210   0.893  1.00  0.00           N  
HETATM   25  O   UNL     1       5.289   0.296   0.992  1.00  0.00           O  
HETATM   26  S   UNL     1       3.701  -2.509  -1.219  1.00  0.00           S  
HETATM   27  C   UNL     1       2.924  -2.343   0.352  1.00  0.00           C  
HETATM   28  H   UNL     1       0.426  -0.696   0.680  1.00  0.00           H  
HETATM   29  H   UNL     1       2.289  -0.756  -2.068  1.00  0.00           H  
HETATM   30  H   UNL     1       3.906  -0.715  -2.810  1.00  0.00           H  
HETATM   31  H   UNL     1       2.120  -3.414   1.892  1.00  0.00           H  
HETATM   32  H   UNL     1       2.714  -4.354   0.632  1.00  0.00           H  
HETATM   33  H   UNL     1       3.954   1.850   1.374  1.00  0.00           H  
HETATM   34  H   UNL     1       3.800   0.423   2.444  1.00  0.00           H  
HETATM   35  H   UNL     1       5.515  -1.084  -0.544  1.00  0.00           H  
HETATM   36  H   UNL     1       5.917   0.603  -0.966  1.00  0.00           H  
HETATM   37  H   UNL     1       3.705   1.183  -1.310  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.584  -2.322   1.417  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.411   0.394  -1.336  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.239   1.592  -1.490  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.029  -0.203   1.165  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.463   3.091   0.063  1.00  0.00           H  
HETATM   43  H   UNL     1       0.745   4.145  -0.200  1.00  0.00           H  
CONECT    1   17   17                                                 
CONECT    2   19   19    3   28                                       
CONECT    3   22   22    2    6                                       
CONECT    4    9   26   29   30                                       
CONECT    5   27   31   32                                            
CONECT    6    3    7    9   24                                       
CONECT    7    6   25   33   34                                       
CONECT    8   25    9   35   36                                       
CONECT    9    6    8    4   37                                       
CONECT   10   11                                                      
CONECT   11   14   14   12   10                                       
CONECT   12   13   13   11   38                                       
CONECT   13   16   12   12                                            
CONECT   14   15   11   11   39                                       
CONECT   15   16   16   14   40                                       
CONECT   16   17   15   15   13                                       
CONECT   17    1    1   18   16                                       
CONECT   18   19   17   41                                            
CONECT   19   20   18    2    2                                       
CONECT   20   21   21   19   42                                       
CONECT   21   20   20   22   43                                       
CONECT   22   21   23    3    3                                       
CONECT   23   22                                                      
CONECT   24    6   27   27                                            
CONECT   25    7    8                                                 
CONECT   26    4   27                                                 
CONECT   27   24   24   26    5                                       
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
