COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.297   0.290  -0.577  1.00  0.00           C  
HETATM    2  C   UNL     1       3.736  -0.096  -0.349  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.617  -2.263   0.291  1.00  0.00           C  
HETATM    4  O   UNL     1       6.075   0.225  -0.748  1.00  0.00           O  
HETATM    5  N   UNL     1       1.484  -0.168   0.552  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.731   1.453   0.748  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.690   2.456  -0.202  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.852   2.859  -0.833  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.057   2.258  -0.512  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.097   1.254   0.440  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.934   0.853   1.070  1.00  0.00           C  
HETATM   12  C   UNL     1       0.145  -2.118   0.007  1.00  0.00           C  
HETATM   13  C   UNL     1       0.355  -2.747  -1.206  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.721  -3.219  -1.934  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.006  -3.062  -1.450  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.139  -1.967   0.495  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.216  -2.434  -0.237  1.00  0.00           C  
HETATM   18  C   UNL     1       1.318  -1.602   0.801  1.00  0.00           C  
HETATM   19  C   UNL     1       1.793  -0.362  -1.867  1.00  0.00           C  
HETATM   20  N   UNL     1       4.723   0.588  -0.962  1.00  0.00           N  
HETATM   21  O   UNL     1       4.006  -1.022   0.386  1.00  0.00           O  
HETATM   22  S   UNL     1       0.752   0.935   1.546  1.00  0.00           S  
HETATM   23  O   UNL     1       0.354   0.225   2.711  1.00  0.00           O  
HETATM   24  O   UNL     1       1.606   2.071   1.582  1.00  0.00           O  
HETATM   25  F   UNL     1      -4.194   2.652  -1.127  1.00  0.00           F  
HETATM   26  C   UNL     1      -1.807   3.953  -1.869  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.976  -3.427   1.112  1.00  0.00           N  
HETATM   28  H   UNL     1       2.221   1.373  -0.664  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.668  -1.360   0.900  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.312  -2.178  -0.544  1.00  0.00           H  
HETATM   31  H   UNL     1       6.710   0.772  -1.229  1.00  0.00           H  
HETATM   32  H   UNL     1       0.250   2.925  -0.452  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.037   0.785   0.692  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.965   0.069   1.812  1.00  0.00           H  
HETATM   35  H   UNL     1       1.359  -2.869  -1.585  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.557  -3.710  -2.882  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.846  -3.431  -2.019  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.303  -1.475   1.442  1.00  0.00           H  
HETATM   39  H   UNL     1       2.222  -2.131   0.499  1.00  0.00           H  
HETATM   40  H   UNL     1       1.138  -1.768   1.863  1.00  0.00           H  
HETATM   41  H   UNL     1       0.710  -0.254  -1.929  1.00  0.00           H  
HETATM   42  H   UNL     1       2.256   0.125  -2.725  1.00  0.00           H  
HETATM   43  H   UNL     1       2.053  -1.420  -1.865  1.00  0.00           H  
HETATM   44  H   UNL     1       4.506   1.328  -1.550  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.641   3.515  -2.853  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.753   4.494  -1.867  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.994   4.641  -1.636  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.912  -3.336   1.478  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.874  -4.284   0.589  1.00  0.00           H  
CONECT    1   19    5    2   28                                       
CONECT    2    1   20   21   21                                       
CONECT    3   27   17   29   30                                       
CONECT    4   20   31                                                 
CONECT    5   22    1   18                                            
CONECT    6   22   11   11    7                                       
CONECT    7    6    8    8   32                                       
CONECT    8    7    7    9   26                                       
CONECT    9   10   10    8   25                                       
CONECT   10   11    9    9   33                                       
CONECT   11    6    6   10   34                                       
CONECT   12   16   16   13   18                                       
CONECT   13   14   14   12   35                                       
CONECT   14   15   13   13   36                                       
CONECT   15   17   17   14   37                                       
CONECT   16   17   12   12   38                                       
CONECT   17    3   15   15   16                                       
CONECT   18   12    5   39   40                                       
CONECT   19    1   41   42   43                                       
CONECT   20    2    4   44                                            
CONECT   21    2    2                                                 
CONECT   22   24   24   23   23                                       
CONECT   22    5    6                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25    9                                                      
CONECT   26    8   45   46   47                                       
CONECT   27    3   48   49                                            
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
