COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.122   0.483   0.618  1.00  0.00           C  
HETATM    2  C   UNL     1       0.775   1.149  -0.730  1.00  0.00           C  
HETATM    3  C   UNL     1       2.729   2.264   1.064  1.00  0.00           C  
HETATM    4  C   UNL     1       1.785   2.186  -1.105  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.441   0.630   0.400  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.844  -1.192   0.249  1.00  0.00           C  
HETATM    7  C   UNL     1       2.054  -0.690   0.453  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.392   1.454  -0.012  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.871  -0.347  -0.183  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.594   1.804  -0.477  1.00  0.00           C  
HETATM   11  C   UNL     1       2.941  -1.088   1.370  1.00  0.00           C  
HETATM   12  C   UNL     1       3.384  -2.676  -0.220  1.00  0.00           C  
HETATM   13  C   UNL     1       3.691  -2.187   1.019  1.00  0.00           C  
HETATM   14  N   UNL     1       2.672   2.707  -0.247  1.00  0.00           N  
HETATM   15  N   UNL     1       1.672   1.502   1.525  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.654  -0.671   0.527  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.188   1.141   0.698  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.273   0.071   1.148  1.00  0.00           C  
HETATM   19  S   UNL     1       2.110  -1.692  -0.927  1.00  0.00           S  
HETATM   20  C   UNL     1      -4.603   1.003  -0.307  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.065  -2.555   0.384  1.00  0.00           N  
HETATM   22  N   UNL     1       4.491  -4.707  -1.336  1.00  0.00           N  
HETATM   23  N   UNL     1       3.739   2.556   1.833  1.00  0.00           N  
HETATM   24  C   UNL     1       4.002  -3.808  -0.842  1.00  0.00           C  
HETATM   25  O   UNL     1       1.803   2.578  -2.252  1.00  0.00           O  
HETATM   26  F   UNL     1      -6.094  -0.839  -0.477  1.00  0.00           F  
HETATM   27  C   UNL     1       3.590   3.756  -0.699  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.677   1.953  -0.774  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.982  -3.431   0.837  1.00  0.00           C  
HETATM   30  H   UNL     1       0.693   0.395  -1.513  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.465   2.868  -0.276  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.237   1.667  -1.346  1.00  0.00           H  
HETATM   33  H   UNL     1       3.062  -0.583   2.317  1.00  0.00           H  
HETATM   34  H   UNL     1       4.446  -2.620   1.658  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.572  -0.886   0.721  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.264   0.014   2.236  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.936  -2.928   0.178  1.00  0.00           H  
HETATM   38  H   UNL     1       4.470   3.093   1.491  1.00  0.00           H  
HETATM   39  H   UNL     1       4.234   4.056   0.127  1.00  0.00           H  
HETATM   40  H   UNL     1       4.202   3.375  -1.516  1.00  0.00           H  
HETATM   41  H   UNL     1       3.017   4.616  -1.045  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.643   2.034  -1.860  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.653   1.576  -0.468  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.511   2.935  -0.330  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.340  -4.459   0.882  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.147  -3.367   0.139  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.652  -3.118   1.828  1.00  0.00           H  
HETATM   48  H   UNL     1       1.306   1.634   2.413  1.00  0.00           H  
CONECT    1    7   18    2   15                                       
CONECT    2    1   10    4   30                                       
CONECT    3   15   14   23   23                                       
CONECT    4    2   25   25   14                                       
CONECT    5    8   17   16   16                                       
CONECT    6    9    9   16   21                                       
CONECT    7   11   11   19    1                                       
CONECT    8   20   20    5                                            
CONECT    9   20   26    6    6                                       
CONECT   10   17    2   31   32                                       
CONECT   11   13    7    7   33                                       
CONECT   12   13   13   24   19                                       
CONECT   13   11   12   12   34                                       
CONECT   14    4    3   27                                            
CONECT   15    1    3   48                                            
CONECT   16    5    5    6                                            
CONECT   17   18    5   10                                            
CONECT   18    1   17   35   36                                       
CONECT   19   12    7                                                 
CONECT   20   28    8    8    9                                       
CONECT   21    6   29   37                                            
CONECT   22   24   24   24                                            
CONECT   23    3    3   38                                            
CONECT   24   22   22   22   12                                       
CONECT   25    4    4                                                 
CONECT   26    9                                                      
CONECT   27   14   39   40   41                                       
CONECT   28   20   42   43   44                                       
CONECT   29   21   45   46   47                                       
CONECT   30    2                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   21                                                      
CONECT   38   23                                                      
CONECT   39   27                                                      
CONECT   40   27                                                      
CONECT   41   27                                                      
CONECT   42   28                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   15                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
