COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.395   1.008  -0.182  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.139   0.275  -0.136  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.821  -4.177   1.665  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.777  -3.753  -0.793  1.00  0.00           C  
HETATM    5  C   UNL     1       1.811   0.659   1.298  1.00  0.00           C  
HETATM    6  C   UNL     1       2.352   0.290  -0.006  1.00  0.00           C  
HETATM    7  C   UNL     1       3.608   0.419  -0.610  1.00  0.00           C  
HETATM    8  C   UNL     1       2.753  -0.637  -2.580  1.00  0.00           C  
HETATM    9  C   UNL     1       1.296  -0.314  -0.716  1.00  0.00           C  
HETATM   10  F   UNL     1      -7.562   3.142   0.090  1.00  0.00           F  
HETATM   11  C   UNL     1      -6.374   2.501   0.035  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.185   3.032   0.328  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.150   2.222   0.206  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.441   0.011  -0.363  1.00  0.00           N  
HETATM   15  O   UNL     1      -1.787   1.405   0.133  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.120  -0.832  -0.218  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.488  -1.938   0.773  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.544  -3.127   0.585  1.00  0.00           C  
HETATM   19  C   UNL     1       0.073  -5.396   1.421  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.172  -5.911   0.111  1.00  0.00           O  
HETATM   21  C   UNL     1       0.115  -4.988  -0.942  1.00  0.00           C  
HETATM   22  N   UNL     1       0.205  -0.302   0.113  1.00  0.00           N  
HETATM   23  N   UNL     1       0.560   0.297   1.326  1.00  0.00           N  
HETATM   24  C   UNL     1       3.796  -0.042  -1.881  1.00  0.00           C  
HETATM   25  C   UNL     1       1.518  -0.774  -2.012  1.00  0.00           C  
HETATM   26  S   UNL     1       4.938   1.172   0.266  1.00  0.00           S  
HETATM   27  O   UNL     1       4.970   0.488   1.511  1.00  0.00           O  
HETATM   28  O   UNL     1       6.034   1.103  -0.636  1.00  0.00           O  
HETATM   29  C   UNL     1       4.412   2.892   0.498  1.00  0.00           C  
HETATM   30  C   UNL     1       5.414   3.858   1.132  1.00  0.00           C  
HETATM   31  C   UNL     1       5.092   3.961  -0.361  1.00  0.00           C  
HETATM   32  S   UNL     1      -6.128   0.820  -0.435  1.00  0.00           S  
HETATM   33  H   UNL     1      -0.604  -3.757   2.646  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.868  -4.478   1.620  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.823  -4.046  -0.888  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.530  -3.029  -1.569  1.00  0.00           H  
HETATM   37  H   UNL     1       2.352   1.141   2.098  1.00  0.00           H  
HETATM   38  H   UNL     1       2.920  -0.995  -3.585  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.076   4.059   0.644  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.713  -0.874  -0.651  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.106  -1.240  -1.229  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.397  -1.559   1.791  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.515  -2.258   0.595  1.00  0.00           H  
HETATM   44  H   UNL     1       0.489  -2.789   0.661  1.00  0.00           H  
HETATM   45  H   UNL     1       1.119  -5.102   1.507  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.150  -6.164   2.161  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.078  -5.463  -1.904  1.00  0.00           H  
HETATM   48  H   UNL     1       1.162  -4.689  -0.887  1.00  0.00           H  
HETATM   49  H   UNL     1       4.765   0.057  -2.348  1.00  0.00           H  
HETATM   50  H   UNL     1       0.716  -1.238  -2.566  1.00  0.00           H  
HETATM   51  H   UNL     1       3.357   3.033   0.734  1.00  0.00           H  
HETATM   52  H   UNL     1       5.018   4.635   1.787  1.00  0.00           H  
HETATM   53  H   UNL     1       6.389   3.460   1.411  1.00  0.00           H  
HETATM   54  H   UNL     1       5.856   3.630  -1.064  1.00  0.00           H  
HETATM   55  H   UNL     1       4.485   4.805  -0.688  1.00  0.00           H  
CONECT    1   14   32   13   13                                       
CONECT    2   16   15   15   14                                       
CONECT    3   19   18   33   34                                       
CONECT    4   21   18   35   36                                       
CONECT    5   23   23    6   37                                       
CONECT    6    5    7    7    9                                       
CONECT    7   26    6    6   24                                       
CONECT    8   24   24   25   38                                       
CONECT    9    6   22   25   25                                       
CONECT   10   11                                                      
CONECT   11   32   12   12   10                                       
CONECT   12   13   11   11   39                                       
CONECT   13    1    1   12                                            
CONECT   14    2    1   40                                            
CONECT   15    2    2                                                 
CONECT   16   17   22    2   41                                       
CONECT   17   18   16   42   43                                       
CONECT   18    3    4   17   44                                       
CONECT   19   20    3   45   46                                       
CONECT   20   19   21                                                 
CONECT   21   20    4   47   48                                       
CONECT   22   23    9   16                                            
CONECT   23    5    5   22                                            
CONECT   24    7    8    8   49                                       
CONECT   25    9    9    8   50                                       
CONECT   26   29   28   28   27                                       
CONECT   26   27    7                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   31   30   26   51                                       
CONECT   30   31   29   52   53                                       
CONECT   31   30   29   54   55                                       
CONECT   32    1   11                                                 
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
