COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.303  -4.228  -0.358  1.00  0.00           C  
HETATM    2  N   UNL     1       5.110  -3.391  -0.209  1.00  0.00           N  
HETATM    3  C   UNL     1       5.071  -2.048  -0.305  1.00  0.00           C  
HETATM    4  N   UNL     1       3.813  -3.850   0.052  1.00  0.00           N  
HETATM    5  C   UNL     1       3.013  -2.819   0.119  1.00  0.00           C  
HETATM    6  C   UNL     1       3.778  -1.657  -0.103  1.00  0.00           C  
HETATM    7  C   UNL     1       3.271  -0.263  -0.119  1.00  0.00           C  
HETATM    8  C   UNL     1       1.921  -0.017   0.104  1.00  0.00           C  
HETATM    9  C   UNL     1       1.456   1.293   0.086  1.00  0.00           C  
HETATM   10  C   UNL     1       4.155   0.796  -0.353  1.00  0.00           C  
HETATM   11  C   UNL     1       3.710   2.086  -0.372  1.00  0.00           C  
HETATM   12  C   UNL     1       2.357   2.356  -0.156  1.00  0.00           C  
HETATM   13  C   UNL     1       1.831   3.725  -0.168  1.00  0.00           C  
HETATM   14  O   UNL     1       2.576   4.666  -0.374  1.00  0.00           O  
HETATM   15  N   UNL     1       0.519   3.934   0.051  1.00  0.00           N  
HETATM   16  C   UNL     1       0.012   5.308   0.035  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.355   2.915   0.286  1.00  0.00           C  
HETATM   18  C   UNL     1       0.039   1.618   0.315  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.945   0.541   0.573  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.971   0.299  -0.338  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.844  -0.237   1.726  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.758  -1.244   1.963  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.776  -1.485   1.060  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.889  -0.711  -0.090  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.919  -0.958  -1.000  1.00  0.00           N  
HETATM   26  S   UNL     1      -5.463  -1.207  -0.455  1.00  0.00           S  
HETATM   27  O   UNL     1      -6.217  -1.446  -1.635  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.325  -2.211   0.542  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.939   0.374   0.296  1.00  0.00           C  
HETATM   30  H   UNL     1       6.780  -4.358   0.613  1.00  0.00           H  
HETATM   31  H   UNL     1       6.017  -5.201  -0.756  1.00  0.00           H  
HETATM   32  H   UNL     1       7.001  -3.747  -1.044  1.00  0.00           H  
HETATM   33  H   UNL     1       5.910  -1.398  -0.505  1.00  0.00           H  
HETATM   34  H   UNL     1       1.951  -2.853   0.308  1.00  0.00           H  
HETATM   35  H   UNL     1       1.241  -0.835   0.288  1.00  0.00           H  
HETATM   36  H   UNL     1       5.202   0.591  -0.520  1.00  0.00           H  
HETATM   37  H   UNL     1       4.401   2.895  -0.554  1.00  0.00           H  
HETATM   38  H   UNL     1       0.833   5.996  -0.165  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.744   5.408  -0.744  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.431   5.543   1.003  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.396   3.148   0.454  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.052   0.895  -1.234  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.050  -0.052   2.434  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.674  -1.849   2.854  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.488  -2.275   1.249  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.731  -0.983  -1.951  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.896   1.161  -0.457  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.955   0.300   0.685  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.254   0.611   1.109  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    4    3                                            
CONECT    3    2    6    6   33                                       
CONECT    4    2    5    5                                            
CONECT    5    4    4    6   34                                       
CONECT    6    5    3    3    7                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   18   12   12                                       
CONECT   10    7   11   11   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12    9    9   11   13                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   17   13   16                                            
CONECT   16   15   38   39   40                                       
CONECT   17   18   18   15   41                                       
CONECT   18   19    9   17   17                                       
CONECT   19   21   21   20   18                                       
CONECT   20   24   24   19   42                                       
CONECT   21   22   19   19   43                                       
CONECT   22   23   23   21   44                                       
CONECT   23   22   22   24   45                                       
CONECT   24   23   25   20   20                                       
CONECT   25   24   26   46                                            
CONECT   26   25   27   27   29                                       
CONECT   26   28   28                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   47   48   49                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
