COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.781  -0.531  -0.773  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.251  -0.116  -0.690  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.357   1.340  -0.856  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.761   1.770  -0.857  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.592   2.043   0.184  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.121   1.628   0.100  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.015   0.171   0.266  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.677  -0.238   0.267  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.363  -1.583   0.407  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.039  -1.987   0.402  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.728  -3.304   0.539  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.819  -4.216   0.684  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.664   0.702   0.122  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.342   0.300   0.123  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.024  -1.043   0.257  1.00  0.00           C  
HETATM   16  N   UNL     1       0.318  -1.450   0.252  1.00  0.00           N  
HETATM   17  C   UNL     1       1.322  -0.510   0.283  1.00  0.00           C  
HETATM   18  S   UNL     1       2.980  -0.854   0.054  1.00  0.00           S  
HETATM   19  N   UNL     1       1.137   0.763   0.486  1.00  0.00           N  
HETATM   20  C   UNL     1       2.199   1.534   0.487  1.00  0.00           C  
HETATM   21  N   UNL     1       2.143   2.903   0.690  1.00  0.00           N  
HETATM   22  C   UNL     1       3.379   0.850   0.255  1.00  0.00           C  
HETATM   23  C   UNL     1       4.667   1.413   0.197  1.00  0.00           C  
HETATM   24  O   UNL     1       4.833   2.587   0.485  1.00  0.00           O  
HETATM   25  C   UNL     1       5.821   0.582  -0.213  1.00  0.00           C  
HETATM   26  C   UNL     1       7.094   0.855   0.287  1.00  0.00           C  
HETATM   27  C   UNL     1       8.166   0.076  -0.099  1.00  0.00           C  
HETATM   28  C   UNL     1       7.979  -0.974  -0.980  1.00  0.00           C  
HETATM   29  C   UNL     1       6.719  -1.250  -1.480  1.00  0.00           C  
HETATM   30  C   UNL     1       5.638  -0.482  -1.098  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.698  -1.608  -0.621  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.815  -0.614  -1.478  1.00  0.00           H  
HETATM   33  H   UNL     1      -9.227   1.492   0.088  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.675   3.119   0.031  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.717   1.913  -0.872  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.911   1.747   0.008  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.556   1.032   0.010  1.00  0.00           H  
HETATM   38  H   UNL     1       0.538  -2.395   0.227  1.00  0.00           H  
HETATM   39  H   UNL     1       1.288   3.336   0.841  1.00  0.00           H  
HETATM   40  H   UNL     1       2.958   3.428   0.681  1.00  0.00           H  
HETATM   41  H   UNL     1       7.241   1.675   0.975  1.00  0.00           H  
HETATM   42  H   UNL     1       9.152   0.286   0.287  1.00  0.00           H  
HETATM   43  H   UNL     1       8.821  -1.581  -1.280  1.00  0.00           H  
HETATM   44  H   UNL     1       6.580  -2.071  -2.168  1.00  0.00           H  
HETATM   45  H   UNL     1       4.655  -0.698  -1.489  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.557   2.125   0.888  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.988   1.783   1.165  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.655  -0.401   0.282  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.385  -0.271  -1.755  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.810   2.852  -0.982  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.289   1.285  -1.679  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.150  -2.313   0.520  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.394  -3.957   1.573  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.462  -4.156  -0.194  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.434  -5.231   0.784  1.00  0.00           H  
CONECT    1    7    2   31   49                                       
CONECT    2    3    1   32   48                                       
CONECT    3    5    2    4                                            
CONECT    4    3   33   50   51                                       
CONECT    5    6    3   34   47                                       
CONECT    6    5    7   35   46                                       
CONECT    7    6    8    1                                            
CONECT    8    9    9   13    7                                       
CONECT    9   10    8    8   52                                       
CONECT   10   11   15   15    9                                       
CONECT   11   10   12                                                 
CONECT   12   11   53   54   55                                       
CONECT   13   14   14    8   36                                       
CONECT   14   15   13   13   37                                       
CONECT   15   16   10   10   14                                       
CONECT   16   17   15   38                                            
CONECT   17   18   19   19   16                                       
CONECT   18   22   17                                                 
CONECT   19   20   17   17                                            
CONECT   20   22   22   21   19                                       
CONECT   21   20   39   40                                            
CONECT   22   23   18   20   20                                       
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   30   30   26   23                                       
CONECT   26   27   27   25   41                                       
CONECT   27   28   26   26   42                                       
CONECT   28   29   29   27   43                                       
CONECT   29   28   28   30   44                                       
CONECT   30   29   25   25   45                                       
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
CONECT   44   29                                                      
CONECT   45   30                                                      
CONECT   46    6                                                      
CONECT   47    5                                                      
CONECT   48    2                                                      
CONECT   49    1                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
