COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.814  -1.176  -0.072  1.00  0.00           N  
HETATM    2  C   UNL     1       0.403  -0.750   0.474  1.00  0.00           C  
HETATM    3  C   UNL     1       1.243   0.077  -0.260  1.00  0.00           C  
HETATM    4  C   UNL     1       2.449   0.498   0.285  1.00  0.00           C  
HETATM    5  C   UNL     1       2.811   0.092   1.563  1.00  0.00           C  
HETATM    6  C   UNL     1       1.973  -0.731   2.293  1.00  0.00           C  
HETATM    7  C   UNL     1       0.769  -1.148   1.756  1.00  0.00           C  
HETATM    8  F   UNL     1      -0.050  -1.946   2.474  1.00  0.00           F  
HETATM    9  F   UNL     1       0.889   0.470  -1.503  1.00  0.00           F  
HETATM   10  N   UNL     1       3.299   1.330  -0.452  1.00  0.00           N  
HETATM   11  S   UNL     1       4.941   1.160  -0.323  1.00  0.00           S  
HETATM   12  C   UNL     1       5.264  -0.542  -0.860  1.00  0.00           C  
HETATM   13  C   UNL     1       7.038  -2.261  -1.237  1.00  0.00           C  
HETATM   14  C   UNL     1       6.766  -0.825  -0.785  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.970  -0.414   0.116  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.907   0.772   0.847  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.023   1.534   1.044  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.247   1.128   0.509  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.317  -0.072  -0.234  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.170  -0.837  -0.431  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.377   1.860   0.684  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.515   1.483   0.186  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.674   0.345  -0.540  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.621  -0.470  -0.784  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.998  -0.003  -1.063  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.749  -1.492  -1.433  1.00  0.00           O  
HETATM   27  O   UNL     1       5.465   2.087  -1.264  1.00  0.00           O  
HETATM   28  O   UNL     1       5.200   1.302   1.067  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.873  -2.420  -0.845  1.00  0.00           C  
HETATM   30  H   UNL     1       3.749   0.419   1.987  1.00  0.00           H  
HETATM   31  H   UNL     1       2.258  -1.045   3.286  1.00  0.00           H  
HETATM   32  H   UNL     1       2.926   2.006  -1.039  1.00  0.00           H  
HETATM   33  H   UNL     1       4.731  -1.236  -0.209  1.00  0.00           H  
HETATM   34  H   UNL     1       4.921  -0.671  -1.887  1.00  0.00           H  
HETATM   35  H   UNL     1       8.108  -2.462  -1.184  1.00  0.00           H  
HETATM   36  H   UNL     1       6.504  -2.954  -0.587  1.00  0.00           H  
HETATM   37  H   UNL     1       6.695  -2.389  -2.264  1.00  0.00           H  
HETATM   38  H   UNL     1       7.299  -0.132  -1.435  1.00  0.00           H  
HETATM   39  H   UNL     1       7.108  -0.697   0.242  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.963   1.091   1.264  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.959   2.450   1.614  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.217  -1.753  -1.002  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.380   2.106   0.358  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.717   0.762  -0.771  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.954  -0.064  -2.151  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.307  -0.966  -0.658  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.682  -2.203  -1.896  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.121  -3.115  -0.474  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.863  -2.865  -0.740  1.00  0.00           H  
CONECT    1   29    2   15                                            
CONECT    2    3    1    7    7                                       
CONECT    3    9    4    4    2                                       
CONECT    4   10    3    3    5                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5    7   31                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7                                                      
CONECT    9    3                                                      
CONECT   10   11    4   32                                            
CONECT   11   12   28   28   10                                       
CONECT   11   27   27                                                 
CONECT   12   14   11   33   34                                       
CONECT   13   14   35   36   37                                       
CONECT   14   12   13   38   39                                       
CONECT   15    1   16   16   20                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18   41                                       
CONECT   18   17   17   19   21                                       
CONECT   19   20   20   18   24                                       
CONECT   20   15   19   19   42                                       
CONECT   21   18   22   22                                            
CONECT   22   21   21   23   43                                       
CONECT   23   24   22   25                                            
CONECT   24   19   26   26   23                                       
CONECT   25   23   44   45   46                                       
CONECT   26   24   24                                                 
CONECT   27   11   11                                                 
CONECT   28   11   11                                                 
CONECT   29    1   47   48   49                                       
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
