COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.483  -0.853   0.836  1.00  0.00           N  
HETATM    2  C   UNL     1       3.075  -0.349  -0.410  1.00  0.00           C  
HETATM    3  C   UNL     1       1.989  -0.238  -1.482  1.00  0.00           C  
HETATM    4  O   UNL     1       2.550   0.177  -2.729  1.00  0.00           O  
HETATM    5  C   UNL     1       4.163  -1.314  -0.885  1.00  0.00           C  
HETATM    6  C   UNL     1       5.291  -1.330   0.115  1.00  0.00           C  
HETATM    7  C   UNL     1       6.341  -0.440  -0.014  1.00  0.00           C  
HETATM    8  C   UNL     1       7.373  -0.451   0.905  1.00  0.00           C  
HETATM    9  C   UNL     1       7.355  -1.352   1.954  1.00  0.00           C  
HETATM   10  C   UNL     1       6.305  -2.241   2.083  1.00  0.00           C  
HETATM   11  C   UNL     1       5.273  -2.231   1.163  1.00  0.00           C  
HETATM   12  N   UNL     1       0.925   0.686  -1.054  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.277   0.350  -1.204  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.401   1.261  -0.784  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.553  -1.008  -1.824  1.00  0.00           C  
HETATM   16  S   UNL     1       1.085  -1.829  -1.664  1.00  0.00           S  
HETATM   17  N   UNL     1      -2.497   0.475  -0.208  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.675   0.848   1.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.716   1.920   1.350  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.637   2.477   2.427  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.712   0.279   1.934  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.498  -0.790   1.221  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.641  -0.455   0.519  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.072  -2.105   1.265  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.360  -1.433  -0.141  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.790  -3.088   0.612  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.934  -2.753  -0.098  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.640  -3.717  -0.746  1.00  0.00           O  
HETATM   29  N   UNL     1      -0.943   2.172   0.273  1.00  0.00           N  
HETATM   30  C   UNL     1       0.136   3.159   0.177  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.427   4.475  -0.295  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.608   4.578  -0.527  1.00  0.00           O  
HETATM   33  O   UNL     1       0.384   5.532  -0.457  1.00  0.00           O  
HETATM   34  H   UNL     1       1.806  -0.201   1.205  1.00  0.00           H  
HETATM   35  H   UNL     1       2.070  -1.763   0.698  1.00  0.00           H  
HETATM   36  H   UNL     1       3.513   0.634  -0.233  1.00  0.00           H  
HETATM   37  H   UNL     1       1.903   0.263  -3.442  1.00  0.00           H  
HETATM   38  H   UNL     1       3.745  -2.316  -0.976  1.00  0.00           H  
HETATM   39  H   UNL     1       4.541  -0.988  -1.854  1.00  0.00           H  
HETATM   40  H   UNL     1       6.355   0.264  -0.833  1.00  0.00           H  
HETATM   41  H   UNL     1       8.193   0.244   0.804  1.00  0.00           H  
HETATM   42  H   UNL     1       8.162  -1.361   2.672  1.00  0.00           H  
HETATM   43  H   UNL     1       6.291  -2.945   2.902  1.00  0.00           H  
HETATM   44  H   UNL     1       4.451  -2.923   1.266  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.316  -1.545  -1.261  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.840  -0.908  -2.870  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.219  -0.152   2.805  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.972   0.573   0.486  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.176  -2.364   1.811  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.250  -1.170  -0.692  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.457  -4.114   0.646  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.359  -3.863  -1.659  1.00  0.00           H  
HETATM   53  H   UNL     1       0.596   3.291   1.156  1.00  0.00           H  
HETATM   54  H   UNL     1       0.886   2.809  -0.532  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.023   6.355  -0.761  1.00  0.00           H  
CONECT    1    2   34   35                                            
CONECT    2    5    1    3   36                                       
CONECT    3   16    2   12    4                                       
CONECT    4    3   37                                                 
CONECT    5    6    2   38   39                                       
CONECT    6    7    7   11    5                                       
CONECT    7    8    6    6   40                                       
CONECT    8    9    9    7   41                                       
CONECT    9    8    8   10   42                                       
CONECT   10    9   11   11   43                                       
CONECT   11   10   10    6   44                                       
CONECT   12    3   13   13                                            
CONECT   13   15   12   12   14                                       
CONECT   14   13   17   17   29                                       
CONECT   15   16   13   45   46                                       
CONECT   16   15    3                                                 
CONECT   17   14   14   18                                            
CONECT   18   17   21   21   19                                       
CONECT   19   18   29   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22   18   18   47                                       
CONECT   22   23   23   24   21                                       
CONECT   23   25   22   22   48                                       
CONECT   24   26   26   22   49                                       
CONECT   25   27   27   23   50                                       
CONECT   26   27   24   24   51                                       
CONECT   27   28   25   25   26                                       
CONECT   28   27   52                                                 
CONECT   29   14   19   30                                            
CONECT   30   29   31   53   54                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   55                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
