COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.469   1.270   0.069  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.146   1.735   0.081  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.094   0.801   0.119  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.869   3.140   0.054  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.650   4.255   0.032  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.595  -0.962   0.133  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.827  -2.418   0.163  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.860  -3.361   0.205  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.323  -4.658   0.226  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.654  -4.786   0.200  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.688  -0.091   0.096  1.00  0.00           C  
HETATM   12  F   UNL     1      -4.828   1.524   0.035  1.00  0.00           F  
HETATM   13  F   UNL     1      -3.573   3.066   1.160  1.00  0.00           F  
HETATM   14  C   UNL     1      -3.625   2.237   0.034  1.00  0.00           C  
HETATM   15  F   UNL     1      -3.546   3.017  -1.124  1.00  0.00           F  
HETATM   16  S   UNL     1      -3.404  -3.196   0.155  1.00  0.00           S  
HETATM   17  N   UNL     1      -0.349  -0.496   0.144  1.00  0.00           N  
HETATM   18  S   UNL     1       1.576   1.364   0.134  1.00  0.00           S  
HETATM   19  H   UNL     1       0.191  -3.117   0.222  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.659  -5.509   0.259  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.188  -5.725   0.210  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.695  -0.481   0.088  1.00  0.00           H  
HETATM   23  C   UNL     1       2.443  -0.224   0.185  1.00  0.00           C  
HETATM   24  C   UNL     1       2.178  -0.982  -1.091  1.00  0.00           C  
HETATM   25  C   UNL     1       3.924   0.016   0.328  1.00  0.00           C  
HETATM   26  O   UNL     1       1.486  -1.973  -1.072  1.00  0.00           O  
HETATM   27  O   UNL     1       2.710  -0.556  -2.247  1.00  0.00           O  
HETATM   28  C   UNL     1       4.602  -0.485   1.423  1.00  0.00           C  
HETATM   29  C   UNL     1       5.961  -0.265   1.554  1.00  0.00           C  
HETATM   30  C   UNL     1       6.641   0.456   0.590  1.00  0.00           C  
HETATM   31  C   UNL     1       5.962   0.956  -0.506  1.00  0.00           C  
HETATM   32  C   UNL     1       4.604   0.732  -0.639  1.00  0.00           C  
HETATM   33  H   UNL     1       2.086  -0.807   1.034  1.00  0.00           H  
HETATM   34  H   UNL     1       2.511  -1.075  -3.039  1.00  0.00           H  
HETATM   35  H   UNL     1       4.071  -1.048   2.176  1.00  0.00           H  
HETATM   36  H   UNL     1       6.491  -0.655   2.410  1.00  0.00           H  
HETATM   37  H   UNL     1       7.702   0.629   0.693  1.00  0.00           H  
HETATM   38  H   UNL     1       6.493   1.519  -1.259  1.00  0.00           H  
HETATM   39  H   UNL     1       4.074   1.122  -1.495  1.00  0.00           H  
CONECT    1    2    2   14   11                                       
CONECT    2    4    1    1    3                                       
CONECT    3   18    2   17   17                                       
CONECT    4    5    5    5    2                                       
CONECT    5    4    4    4                                            
CONECT    6   17   11   11    7                                       
CONECT    7    6   16    8    8                                       
CONECT    8    7    7    9   19                                       
CONECT    9    8   10   10   20                                       
CONECT   10   16    9    9   21                                       
CONECT   11    1    6    6   22                                       
CONECT   12   14                                                      
CONECT   13   14                                                      
CONECT   14   12   15    1   13                                       
CONECT   15   14                                                      
CONECT   16    7   10                                                 
CONECT   17    3    3    6                                            
CONECT   18    3   23                                                 
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21   10                                                      
CONECT   22   11                                                      
CONECT   23   18   24   25   33                                       
CONECT   24   23   26   26   27                                       
CONECT   25   23   28   32   32                                       
CONECT   26   24   24                                                 
CONECT   27   24   34                                                 
CONECT   28   25   29   29   35                                       
CONECT   29   28   28   30   36                                       
CONECT   30   29   31   31   37                                       
CONECT   31   30   30   32   38                                       
CONECT   32   31   25   25   39                                       
CONECT   33   23                                                      
CONECT   34   27                                                      
CONECT   35   28                                                      
CONECT   36   29                                                      
CONECT   37   30                                                      
CONECT   38   31                                                      
CONECT   39   32                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
