COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.953   1.726   0.789  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.009  -0.570  -0.424  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.238   0.972   0.370  1.00  0.00           C  
HETATM    4  N   UNL     1       4.919  -0.417   1.058  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.777   1.935   1.258  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.265   0.979  -1.120  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.778  -0.537  -0.075  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.414  -0.968  -0.051  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.482  -0.167  -0.421  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.637  -2.132   0.660  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.924  -2.501   1.004  1.00  0.00           C  
HETATM   12  O   UNL     1       3.289   2.493  -1.461  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.995  -1.706   0.638  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.524   0.446   0.514  1.00  0.00           N  
HETATM   15  C   UNL     1      -9.132  -0.194  -0.042  1.00  0.00           C  
HETATM   16  O   UNL     1      -7.830   0.248  -0.431  1.00  0.00           O  
HETATM   17  C   UNL     1       0.495   2.454   1.112  1.00  0.00           C  
HETATM   18  C   UNL     1       1.309   2.015   0.084  1.00  0.00           C  
HETATM   19  C   UNL     1       0.852   1.056  -0.802  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.420   0.538  -0.666  1.00  0.00           C  
HETATM   21  C   UNL     1       4.147   0.406   0.435  1.00  0.00           C  
HETATM   22  C   UNL     1       5.003  -1.678   0.591  1.00  0.00           C  
HETATM   23  C   UNL     1       4.207  -1.895  -0.537  1.00  0.00           C  
HETATM   24  C   UNL     1       4.176  -3.146  -1.148  1.00  0.00           C  
HETATM   25  C   UNL     1       4.931  -4.182  -0.645  1.00  0.00           C  
HETATM   26  C   UNL     1       5.725  -3.980   0.474  1.00  0.00           C  
HETATM   27  C   UNL     1       5.769  -2.755   1.088  1.00  0.00           C  
HETATM   28  O   UNL     1       2.916   3.951   0.535  1.00  0.00           O  
HETATM   29  S   UNL     1       2.930   2.679  -0.099  1.00  0.00           S  
HETATM   30  S   UNL     1       3.374  -0.392  -0.927  1.00  0.00           S  
HETATM   31  H   UNL     1       4.413   2.095   1.559  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.360  -1.445  -0.380  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.003  -0.164  -1.435  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.412   2.279   2.061  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.128   1.759  -0.565  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.803  -2.756   0.948  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.095  -3.411   1.559  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.000  -1.995   0.908  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.096   0.753   1.235  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.877   0.522  -0.387  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.331  -1.170  -0.486  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.179  -0.273   1.044  1.00  0.00           H  
HETATM   43  H   UNL     1       0.854   3.203   1.802  1.00  0.00           H  
HETATM   44  H   UNL     1       1.490   0.715  -1.604  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.776  -0.211  -1.358  1.00  0.00           H  
HETATM   46  H   UNL     1       3.557  -3.304  -2.020  1.00  0.00           H  
HETATM   47  H   UNL     1       4.904  -5.151  -1.122  1.00  0.00           H  
HETATM   48  H   UNL     1       6.316  -4.796   0.864  1.00  0.00           H  
HETATM   49  H   UNL     1       6.392  -2.613   1.959  1.00  0.00           H  
CONECT    1   21   29   31                                            
CONECT    2    8   14   32   33                                       
CONECT    3   20   14    5    5                                       
CONECT    4   22   21   21                                            
CONECT    5    3    3   17   34                                       
CONECT    6    9   35                                                 
CONECT    7   16    9    9   13                                       
CONECT    8    9    2   10   10                                       
CONECT    9    6    7    7    8                                       
CONECT   10    8    8   11   36                                       
CONECT   11   13   13   10   37                                       
CONECT   12   29   29                                                 
CONECT   13    7   11   11   38                                       
CONECT   14    2    3   39                                            
CONECT   15   16   40   41   42                                       
CONECT   16   15    7                                                 
CONECT   17   18   18    5   43                                       
CONECT   18   19   29   17   17                                       
CONECT   19   20   20   18   44                                       
CONECT   20   19   19    3   45                                       
CONECT   21   30    4    4    1                                       
CONECT   22   23   23   27    4                                       
CONECT   23   24   30   22   22                                       
CONECT   24   25   25   23   46                                       
CONECT   25   24   24   26   47                                       
CONECT   26   25   27   27   48                                       
CONECT   27   26   26   22   49                                       
CONECT   28   29   29                                                 
CONECT   29   12   12   18    1                                       
CONECT   29   28   28                                                 
CONECT   30   23   21                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
