COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.087   4.143   0.402  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.602   1.970   1.327  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.461   2.165  -1.078  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.903   2.630   0.269  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.414   2.288   0.350  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.220   0.793   0.093  1.00  0.00           C  
HETATM    7  F   UNL     1      -3.714   3.022  -0.613  1.00  0.00           F  
HETATM    8  N   UNL     1      -2.794   0.465   0.170  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.194  -1.676  -0.264  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.382  -0.804  -0.024  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.522  -5.854  -1.221  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.987  -5.966   0.232  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.966  -4.897  -0.165  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.423  -3.506  -0.204  1.00  0.00           N  
HETATM   15  N   UNL     1       6.554   2.399   0.359  1.00  0.00           N  
HETATM   16  C   UNL     1       6.111   3.392  -0.317  1.00  0.00           C  
HETATM   17  S   UNL     1       4.550   3.004  -1.027  1.00  0.00           S  
HETATM   18  C   UNL     1       5.180  -0.961   1.035  1.00  0.00           C  
HETATM   19  C   UNL     1       6.067   0.070   1.088  1.00  0.00           C  
HETATM   20  C   UNL     1       5.801   1.283   0.417  1.00  0.00           C  
HETATM   21  C   UNL     1       4.607   1.398  -0.304  1.00  0.00           C  
HETATM   22  C   UNL     1       3.707   0.336  -0.352  1.00  0.00           C  
HETATM   23  C   UNL     1       3.992  -0.841   0.316  1.00  0.00           C  
HETATM   24  N   UNL     1       3.090  -1.910   0.270  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.515  -2.473  -0.039  1.00  0.00           C  
HETATM   26  C   UNL     1       0.849  -2.727   0.035  1.00  0.00           C  
HETATM   27  C   UNL     1       1.728  -1.664   0.196  1.00  0.00           C  
HETATM   28  N   UNL     1       1.284  -0.415   0.279  1.00  0.00           N  
HETATM   29  C   UNL     1       0.002  -0.125   0.214  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.950  -1.133   0.054  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.690   4.474   1.362  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.554   4.646  -0.405  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.148   4.387   0.344  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.300   2.218   2.211  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.521   2.409  -1.136  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.928   2.669  -1.885  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.330   1.087  -1.173  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.037   2.538   1.342  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.765   0.221   0.843  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.596   0.543  -0.899  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.146   1.161   0.361  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.856  -6.630  -1.598  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.228  -5.448  -1.946  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.999  -5.634   0.464  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.626  -6.816   0.812  1.00  0.00           H  
HETATM   46  H   UNL     1       0.066  -5.044   0.154  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.362  -3.308  -0.346  1.00  0.00           H  
HETATM   48  H   UNL     1       6.623   4.335  -0.434  1.00  0.00           H  
HETATM   49  H   UNL     1       5.400  -1.881   1.555  1.00  0.00           H  
HETATM   50  H   UNL     1       6.982  -0.040   1.650  1.00  0.00           H  
HETATM   51  H   UNL     1       2.787   0.431  -0.909  1.00  0.00           H  
HETATM   52  H   UNL     1       3.418  -2.822   0.291  1.00  0.00           H  
HETATM   53  H   UNL     1       1.221  -3.739  -0.031  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.317   0.905   0.287  1.00  0.00           H  
CONECT    1    4   31   32   33                                       
CONECT    2    4   34                                                 
CONECT    3    4   35   36   37                                       
CONECT    4    5    2    1    3                                       
CONECT    5    6    7    4   38                                       
CONECT    6    8    5   39   40                                       
CONECT    7    5                                                      
CONECT    8   10    6   41                                            
CONECT    9   10   10                                                 
CONECT   10   30    8    9    9                                       
CONECT   11   12   13   42   43                                       
CONECT   12   13   11   44   45                                       
CONECT   13   12   14   11   46                                       
CONECT   14   25   13   47                                            
CONECT   15   16   16   20                                            
CONECT   16   15   15   17   48                                       
CONECT   17   16   21                                                 
CONECT   18   19   23   23   49                                       
CONECT   19   20   20   18   50                                       
CONECT   20   15   19   19   21                                       
CONECT   21   17   20   22   22                                       
CONECT   22   21   21   23   51                                       
CONECT   23   18   18   22   24                                       
CONECT   24   23   27   52                                            
CONECT   25   26   26   30   14                                       
CONECT   26   27   25   25   53                                       
CONECT   27   24   28   28   26                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   30   54                                       
CONECT   30   29   29   25   10                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
