COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.994   2.216   0.421  1.00  0.00           N  
HETATM    2  N   UNL     1       3.659   2.269  -0.679  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.111  -0.615  -0.424  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.473   0.112   0.563  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.247   0.711   0.299  1.00  0.00           C  
HETATM    6  C   UNL     1       0.086   2.196   0.728  1.00  0.00           C  
HETATM    7  C   UNL     1       0.883   3.664  -0.993  1.00  0.00           C  
HETATM    8  C   UNL     1       1.862   4.340  -0.029  1.00  0.00           C  
HETATM    9  C   UNL     1       3.807   0.247   0.005  1.00  0.00           C  
HETATM   10  C   UNL     1       4.948  -1.769  -0.917  1.00  0.00           C  
HETATM   11  C   UNL     1       4.839  -3.877   0.224  1.00  0.00           C  
HETATM   12  C   UNL     1       1.033   2.813   1.760  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.529  -0.749  -1.672  1.00  0.00           C  
HETATM   14  C   UNL     1       2.284   3.335   1.047  1.00  0.00           C  
HETATM   15  C   UNL     1       3.055   0.953   0.899  1.00  0.00           C  
HETATM   16  C   UNL     1       4.167  -1.191   0.081  1.00  0.00           C  
HETATM   17  C   UNL     1       5.281  -3.109  -0.842  1.00  0.00           C  
HETATM   18  C   UNL     1       4.061  -3.304   1.220  1.00  0.00           C  
HETATM   19  C   UNL     1       3.724  -1.965   1.151  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.309  -0.154  -1.937  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.668   0.577  -0.958  1.00  0.00           C  
HETATM   22  C   UNL     1       1.581   2.498  -1.695  1.00  0.00           C  
HETATM   23  F   UNL     1       6.038  -3.671  -1.810  1.00  0.00           F  
HETATM   24  F   UNL     1       3.632  -4.056   2.257  1.00  0.00           F  
HETATM   25  F   UNL     1       5.166  -5.186   0.294  1.00  0.00           F  
HETATM   26  I   UNL     1      -5.959  -1.520  -0.028  1.00  0.00           I  
HETATM   27  N   UNL     1       4.158   1.117  -0.959  1.00  0.00           N  
HETATM   28  O   UNL     1      -0.242   3.175  -0.260  1.00  0.00           O  
HETATM   29  O   UNL     1       0.723   1.970  -2.708  1.00  0.00           O  
HETATM   30  O   UNL     1       3.015   4.780  -0.750  1.00  0.00           O  
HETATM   31  O   UNL     1       0.376   3.893   2.426  1.00  0.00           O  
HETATM   32  S   UNL     1      -1.430   1.639   1.554  1.00  0.00           S  
HETATM   33  H   UNL     1      -3.926   0.214   1.538  1.00  0.00           H  
HETATM   34  H   UNL     1       0.573   1.346   0.250  1.00  0.00           H  
HETATM   35  H   UNL     1       0.547   4.388  -1.735  1.00  0.00           H  
HETATM   36  H   UNL     1       1.379   5.196   0.441  1.00  0.00           H  
HETATM   37  H   UNL     1       5.289  -1.173  -1.750  1.00  0.00           H  
HETATM   38  H   UNL     1       1.319   2.055   2.490  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.028  -1.321  -2.440  1.00  0.00           H  
HETATM   40  H   UNL     1       2.938   3.824   1.768  1.00  0.00           H  
HETATM   41  H   UNL     1       2.601   0.578   1.804  1.00  0.00           H  
HETATM   42  H   UNL     1       3.119  -1.520   1.927  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.858  -0.262  -2.913  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.716   1.042  -1.166  1.00  0.00           H  
HETATM   45  H   UNL     1       2.507   2.850  -2.150  1.00  0.00           H  
HETATM   46  H   UNL     1       1.807   1.719  -0.968  1.00  0.00           H  
HETATM   47  H   UNL     1       1.102   1.226  -3.196  1.00  0.00           H  
HETATM   48  H   UNL     1       2.821   5.416  -1.452  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.429   3.634   2.896  1.00  0.00           H  
CONECT    1    2   14   15                                            
CONECT    2   27   27    1                                            
CONECT    3   13   13    4   26                                       
CONECT    4    5    5    3   33                                       
CONECT    5   21   32    4    4                                       
CONECT    6   32   12   28   34                                       
CONECT    7    8   28   22   35                                       
CONECT    8   14    7   30   36                                       
CONECT    9   27   15   15   16                                       
CONECT   10   16   16   17   37                                       
CONECT   11   17   17   18   25                                       
CONECT   12   31   14    6   38                                       
CONECT   13   20    3    3   39                                       
CONECT   14    1   12    8   40                                       
CONECT   15    1    9    9   41                                       
CONECT   16    9   10   10   19                                       
CONECT   17   10   23   11   11                                       
CONECT   18   19   19   11   24                                       
CONECT   19   16   18   18   42                                       
CONECT   20   21   21   13   43                                       
CONECT   21   20   20    5   44                                       
CONECT   22    7   29   45   46                                       
CONECT   23   17                                                      
CONECT   24   18                                                      
CONECT   25   11                                                      
CONECT   26    3                                                      
CONECT   27    2    2    9                                            
CONECT   28    6    7                                                 
CONECT   29   22   47                                                 
CONECT   30    8   48                                                 
CONECT   31   12   49                                                 
CONECT   32    5    6                                                 
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
