COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.014   1.429   1.519  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.958   0.572   1.078  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.246   1.210  -0.118  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.580   2.521   0.293  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.846   2.327  -0.219  1.00  0.00           S  
HETATM    6  C   UNL     1      -4.539  -0.779   0.650  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.243  -1.362   1.749  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.411  -1.716   0.216  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.956  -2.995  -0.115  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.699  -1.134  -1.009  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.545  -1.918  -1.317  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.289   0.258  -0.671  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.017   0.689  -0.851  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.058  -0.004  -1.401  1.00  0.00           N  
HETATM   15  C   UNL     1       1.282   0.573  -1.529  1.00  0.00           C  
HETATM   16  C   UNL     1       2.265  -0.224  -0.669  1.00  0.00           C  
HETATM   17  C   UNL     1       3.665   0.378  -0.802  1.00  0.00           C  
HETATM   18  C   UNL     1       4.647  -0.419   0.058  1.00  0.00           C  
HETATM   19  C   UNL     1       6.047   0.183  -0.075  1.00  0.00           C  
HETATM   20  C   UNL     1       7.029  -0.614   0.785  1.00  0.00           C  
HETATM   21  C   UNL     1       8.429  -0.012   0.652  1.00  0.00           C  
HETATM   22  C   UNL     1       9.412  -0.809   1.512  1.00  0.00           C  
HETATM   23  H   UNL     1      -5.510   1.084   2.274  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.246   0.423   1.890  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.991   1.429  -0.882  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.227  -0.630  -0.182  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.039   3.361  -0.227  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.647   2.660   1.372  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.639  -2.222   1.550  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.697  -1.826   1.032  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.296  -3.642  -0.399  1.00  0.00           H  
HETATM   32  H   UNL     1       1.597   0.533  -2.572  1.00  0.00           H  
HETATM   33  H   UNL     1       1.265   1.610  -1.194  1.00  0.00           H  
HETATM   34  H   UNL     1       1.950  -0.185   0.374  1.00  0.00           H  
HETATM   35  H   UNL     1       2.282  -1.262  -1.004  1.00  0.00           H  
HETATM   36  H   UNL     1       3.980   0.338  -1.845  1.00  0.00           H  
HETATM   37  H   UNL     1       3.647   1.415  -0.467  1.00  0.00           H  
HETATM   38  H   UNL     1       4.332  -0.380   1.101  1.00  0.00           H  
HETATM   39  H   UNL     1       4.664  -1.456  -0.277  1.00  0.00           H  
HETATM   40  H   UNL     1       6.362   0.144  -1.118  1.00  0.00           H  
HETATM   41  H   UNL     1       6.030   1.220   0.260  1.00  0.00           H  
HETATM   42  H   UNL     1       6.714  -0.575   1.828  1.00  0.00           H  
HETATM   43  H   UNL     1       7.047  -1.651   0.450  1.00  0.00           H  
HETATM   44  H   UNL     1       8.744  -0.051  -0.391  1.00  0.00           H  
HETATM   45  H   UNL     1       8.412   1.025   0.987  1.00  0.00           H  
HETATM   46  H   UNL     1       9.097  -0.770   2.555  1.00  0.00           H  
HETATM   47  H   UNL     1       9.429  -1.846   1.177  1.00  0.00           H  
HETATM   48  H   UNL     1      10.409  -0.380   1.418  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.740  -2.844  -1.518  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.378  -1.124  -1.862  1.00  0.00           H  
CONECT    1   23    2                                                 
CONECT    2   24    1    3    6                                       
CONECT    3   25    2    4   12                                       
CONECT    4   27   28    3    5                                       
CONECT    5    4   13                                                 
CONECT    6   26    2    7    8                                       
CONECT    7   29    6                                                 
CONECT    8   30    6    9   10                                       
CONECT    9   31    8                                                 
CONECT   10   50    8   11   12                                       
CONECT   11   49   10                                                 
CONECT   12    3   10   13                                            
CONECT   13    5   12   14   14                                       
CONECT   14   13   13   15                                            
CONECT   15   32   33   14   16                                       
CONECT   16   34   35   15   17                                       
CONECT   17   18   36   37   16                                       
CONECT   18   17   19   38   39                                       
CONECT   19   18   20   40   41                                       
CONECT   20   19   21   42   43                                       
CONECT   21   20   22   44   45                                       
CONECT   22   21   46   47   48                                       
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    6                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   11                                                      
CONECT   50   10                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
