COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.675   0.696   0.823  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.102  -2.393   0.488  1.00  0.00           C  
HETATM    3  C   UNL     1       0.199   0.924   0.620  1.00  0.00           C  
HETATM    4  C   UNL     1       1.108  -2.135   1.409  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.335  -1.344  -0.349  1.00  0.00           C  
HETATM    6  C   UNL     1       1.170  -1.650  -0.082  1.00  0.00           C  
HETATM    7  C   UNL     1       0.013  -3.235   1.181  1.00  0.00           C  
HETATM    8  N   UNL     1       2.384   0.936  -0.436  1.00  0.00           N  
HETATM    9  C   UNL     1       4.689  -0.431   0.157  1.00  0.00           C  
HETATM   10  S   UNL     1       4.026   1.151  -0.433  1.00  0.00           S  
HETATM   11  N   UNL     1      -0.668   0.010   0.101  1.00  0.00           N  
HETATM   12  C   UNL     1       1.428  -3.003  -0.814  1.00  0.00           C  
HETATM   13  C   UNL     1       0.662  -4.052   0.023  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.911   0.591   0.079  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.193   0.194  -0.324  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.757  -1.026  -0.899  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.070  -0.806  -1.073  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.388   0.457  -0.654  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.262   1.096  -0.189  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.054   2.311   0.314  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.868   2.719   0.702  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.749   1.885   0.604  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.435   2.020   0.918  1.00  0.00           N  
HETATM   24  O   UNL     1       4.356   1.350  -1.801  1.00  0.00           O  
HETATM   25  O   UNL     1       4.244   2.173   0.529  1.00  0.00           O  
HETATM   26  H   UNL     1       2.046   1.381   1.586  1.00  0.00           H  
HETATM   27  H   UNL     1       1.843  -0.332   1.145  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.726  -1.902   1.235  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.709  -3.026  -0.159  1.00  0.00           H  
HETATM   30  H   UNL     1       2.055  -2.562   1.740  1.00  0.00           H  
HETATM   31  H   UNL     1       0.765  -1.348   2.081  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.566  -1.460  -1.408  1.00  0.00           H  
HETATM   33  H   UNL     1       1.868  -0.845  -0.310  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.298  -3.810   2.054  1.00  0.00           H  
HETATM   35  H   UNL     1       1.892   0.969  -1.271  1.00  0.00           H  
HETATM   36  H   UNL     1       4.458  -1.214  -0.566  1.00  0.00           H  
HETATM   37  H   UNL     1       5.769  -0.352   0.274  1.00  0.00           H  
HETATM   38  H   UNL     1       4.236  -0.679   1.117  1.00  0.00           H  
HETATM   39  H   UNL     1       1.035  -2.966  -1.830  1.00  0.00           H  
HETATM   40  H   UNL     1       2.494  -3.230  -0.828  1.00  0.00           H  
HETATM   41  H   UNL     1       1.351  -4.797   0.422  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.108  -4.532  -0.582  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.219  -1.932  -1.139  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.770  -1.519  -1.482  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.276   0.845  -0.681  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.754   3.715   1.104  1.00  0.00           H  
CONECT    1    8    3   26   27                                       
CONECT    2    5    7   28   29                                       
CONECT    3   23   23    1   11                                       
CONECT    4    7    6   30   31                                       
CONECT    5   11    2    6   32                                       
CONECT    6    5   12    4   33                                       
CONECT    7    2   13    4   34                                       
CONECT    8   10    1   35                                            
CONECT    9   10   36   37   38                                       
CONECT   10   25   25   24   24                                       
CONECT   10    9    8                                                 
CONECT   11    3   14    5                                            
CONECT   12    6   13   39   40                                       
CONECT   13    7   12   41   42                                       
CONECT   14   22   11   15   15                                       
CONECT   15   14   14   19   16                                       
CONECT   16   15   17   17   43                                       
CONECT   17   18   16   16   44                                       
CONECT   18   19   17   45                                            
CONECT   19   20   20   15   18                                       
CONECT   20   21   19   19                                            
CONECT   21   22   22   20   46                                       
CONECT   22   23   21   21   14                                       
CONECT   23   22    3    3                                            
CONECT   24   10   10                                                 
CONECT   25   10   10                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
