COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.061  -1.231  -0.133  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.579   1.778  -0.698  1.00  0.00           C  
HETATM    3  N   UNL     1       6.440  -1.215  -0.272  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.961  -2.256  -0.007  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.541   4.033  -0.380  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.357  -3.415  -0.002  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.880   5.977   0.025  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.023   5.203  -0.038  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.926   3.844  -0.272  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.129  -0.975   0.218  1.00  0.00           C  
HETATM   11  C   UNL     1       1.593  -1.177   0.022  1.00  0.00           C  
HETATM   12  O   UNL     1       3.019   0.689   0.251  1.00  0.00           O  
HETATM   13  C   UNL     1       2.942  -0.505   0.055  1.00  0.00           C  
HETATM   14  C   UNL     1       5.305  -0.611  -0.103  1.00  0.00           C  
HETATM   15  S   UNL     1       5.561   1.059   0.162  1.00  0.00           S  
HETATM   16  C   UNL     1       7.301   0.825   0.019  1.00  0.00           C  
HETATM   17  C   UNL     1       7.528  -0.470  -0.212  1.00  0.00           C  
HETATM   18  S   UNL     1       0.298   0.055   0.306  1.00  0.00           S  
HETATM   19  C   UNL     1      -2.004  -3.103  -0.088  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.316  -2.599   0.074  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.163  -4.699  -0.230  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.876  -5.201  -0.390  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.828  -4.404  -0.318  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.478  -1.156   0.327  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.580  -0.662   0.476  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.356  -0.403   0.387  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.459   1.038   0.635  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.685   3.259  -0.443  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.639   5.392  -0.146  1.00  0.00           C  
HETATM   30  H   UNL     1       4.000  -2.187  -0.286  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.697   1.576  -1.306  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.469   1.435  -1.225  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.572   3.576  -0.510  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.956   7.038   0.209  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.993   5.660   0.096  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.819   3.239  -0.321  1.00  0.00           H  
HETATM   37  H   UNL     1       1.444  -1.644  -0.951  1.00  0.00           H  
HETATM   38  H   UNL     1       1.548  -1.938   0.801  1.00  0.00           H  
HETATM   39  H   UNL     1       8.054   1.596   0.102  1.00  0.00           H  
HETATM   40  H   UNL     1       8.521  -0.875  -0.339  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.010  -5.366  -0.292  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.733  -6.256  -0.576  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.569   1.380   1.162  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.341   1.239   1.243  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.746   5.997  -0.097  1.00  0.00           H  
CONECT    1   13   14   30                                            
CONECT    2   27   28   31   32                                       
CONECT    3   14   14   17                                            
CONECT    4   10   10   19                                            
CONECT    5   28   28   29   33                                       
CONECT    6   20   20   21                                            
CONECT    7    8   29   29   34                                       
CONECT    8    7    9    9   35                                       
CONECT    9    8    8   28   36                                       
CONECT   10    4    4   18   26                                       
CONECT   11   13   18   37   38                                       
CONECT   12   13   13                                                 
CONECT   13    1   11   12   12                                       
CONECT   14    1    3    3   15                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   39                                       
CONECT   17    3   16   16   40                                       
CONECT   18   10   11                                                 
CONECT   19    4   20   23   23                                       
CONECT   20    6    6   19   24                                       
CONECT   21    6   22   22   41                                       
CONECT   22   21   21   23   42                                       
CONECT   23   19   19   22                                            
CONECT   24   20   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   10   24   27                                            
CONECT   27    2   26   43   44                                       
CONECT   28    2    5    5    9                                       
CONECT   29    5    7    7   45                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
