COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.242  -2.910   1.090  1.00  0.00           C  
HETATM    2  C   UNL     1       3.122  -1.823   0.020  1.00  0.00           C  
HETATM    3  C   UNL     1       2.855  -3.285  -0.342  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.888   0.825   0.180  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.826  -0.205   0.057  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.173   0.088   0.071  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.598   1.401   0.206  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.673   2.426   0.328  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.323   2.146   0.316  1.00  0.00           C  
HETATM   10  C   UNL     1       1.934  -0.897   0.099  1.00  0.00           C  
HETATM   11  C   UNL     1       2.130   0.474   0.246  1.00  0.00           C  
HETATM   12  C   UNL     1       1.047   1.335   0.320  1.00  0.00           C  
HETATM   13  C   UNL     1       0.658  -1.409   0.020  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.436  -0.550   0.093  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.245   0.832   0.247  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.459   1.421   0.288  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.446   0.517   0.172  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.898  -0.748   0.045  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.617  -2.017  -0.106  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.935  -2.658   0.879  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.927  -2.474  -1.336  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.646  -3.742  -1.487  1.00  0.00           C  
HETATM   23  N   UNL     1       3.429   0.985   0.320  1.00  0.00           N  
HETATM   24  S   UNL     1       4.267   1.321  -1.068  1.00  0.00           S  
HETATM   25  O   UNL     1       5.627   1.115  -0.715  1.00  0.00           O  
HETATM   26  O   UNL     1       3.638   0.520  -2.060  1.00  0.00           O  
HETATM   27  C   UNL     1       3.947   3.080  -1.375  1.00  0.00           C  
HETATM   28  F   UNL     1      -7.919   1.682   0.219  1.00  0.00           F  
HETATM   29  C   UNL     1       4.049   1.223   1.626  1.00  0.00           C  
HETATM   30  C   UNL     1       4.687  -0.072   2.131  1.00  0.00           C  
HETATM   31  O   UNL     1       5.761  -0.444   1.265  1.00  0.00           O  
HETATM   32  H   UNL     1       4.244  -3.176   1.426  1.00  0.00           H  
HETATM   33  H   UNL     1       2.463  -2.956   1.851  1.00  0.00           H  
HETATM   34  H   UNL     1       4.044  -1.373  -0.347  1.00  0.00           H  
HETATM   35  H   UNL     1       3.602  -3.798  -0.947  1.00  0.00           H  
HETATM   36  H   UNL     1       1.821  -3.578  -0.523  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.496  -1.227  -0.048  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.898  -0.706  -0.024  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.010   3.447   0.433  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.604   2.946   0.412  1.00  0.00           H  
HETATM   41  H   UNL     1       1.208   2.397   0.434  1.00  0.00           H  
HETATM   42  H   UNL     1       0.506  -2.471  -0.099  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.674  -1.964  -2.121  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.058  -4.547  -1.047  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.609  -3.676  -0.980  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.806  -3.945  -2.546  1.00  0.00           H  
HETATM   47  H   UNL     1       4.437   3.677  -0.606  1.00  0.00           H  
HETATM   48  H   UNL     1       4.341   3.355  -2.353  1.00  0.00           H  
HETATM   49  H   UNL     1       2.874   3.264  -1.350  1.00  0.00           H  
HETATM   50  H   UNL     1       4.815   1.992   1.529  1.00  0.00           H  
HETATM   51  H   UNL     1       3.289   1.554   2.334  1.00  0.00           H  
HETATM   52  H   UNL     1       5.070   0.081   3.140  1.00  0.00           H  
HETATM   53  H   UNL     1       3.939  -0.865   2.144  1.00  0.00           H  
HETATM   54  H   UNL     1       6.213  -1.258   1.526  1.00  0.00           H  
CONECT    1    3    2   32   33                                       
CONECT    2    1    3   10   34                                       
CONECT    3    1    2   35   36                                       
CONECT    4    5   17    9    9                                       
CONECT    5    6    6    4   37                                       
CONECT    6    5    5    7   38                                       
CONECT    7    6   28    8    8                                       
CONECT    8    7    7    9   39                                       
CONECT    9    4    4    8   40                                       
CONECT   10   13    2   11   11                                       
CONECT   11   10   10   12   23                                       
CONECT   12   15   15   11   41                                       
CONECT   13   14   14   10   42                                       
CONECT   14   18   13   13   15                                       
CONECT   15   14   16   12   12                                       
CONECT   16   17   15                                                 
CONECT   17   18   18    4   16                                       
CONECT   18   19   14   17   17                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   43                                            
CONECT   22   21   44   45   46                                       
CONECT   23   11   29   24                                            
CONECT   24   23   26   26   25                                       
CONECT   24   25   27                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   47   48   49                                       
CONECT   28    7                                                      
CONECT   29   30   23   50   51                                       
CONECT   30   31   29   52   53                                       
CONECT   31   30   54                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
