COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.911   1.477   0.732  1.00  0.00           C  
HETATM    2  C   UNL     1       0.435   2.464  -0.122  1.00  0.00           C  
HETATM    3  C   UNL     1       1.336   3.424  -0.633  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.213   1.150   0.481  1.00  0.00           C  
HETATM    5  N   UNL     1       2.637   3.359  -0.281  1.00  0.00           N  
HETATM    6  N   UNL     1       2.257   1.468   1.059  1.00  0.00           N  
HETATM    7  C   UNL     1       2.341  -1.781   0.898  1.00  0.00           C  
HETATM    8  C   UNL     1       2.750  -2.877   0.162  1.00  0.00           C  
HETATM    9  C   UNL     1       4.048  -2.948  -0.311  1.00  0.00           C  
HETATM   10 CL   UNL     1       4.561  -4.324  -1.237  1.00  0.00          Cl  
HETATM   11  C   UNL     1       4.937  -1.922  -0.045  1.00  0.00           C  
HETATM   12  C   UNL     1       4.528  -0.827   0.692  1.00  0.00           C  
HETATM   13  C   UNL     1       3.229  -0.754   1.159  1.00  0.00           C  
HETATM   14  C   UNL     1       2.783   0.441   1.962  1.00  0.00           C  
HETATM   15  C   UNL     1       3.083   2.399   0.546  1.00  0.00           C  
HETATM   16  O   UNL     1       4.262   2.375   0.845  1.00  0.00           O  
HETATM   17  O   UNL     1       0.943   4.299  -1.384  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.918   2.233  -0.264  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.856   3.016  -1.072  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.918   2.437  -2.487  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.129   0.709   1.066  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.584   0.540   0.621  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.820  -0.713  -0.664  1.00  0.00           S  
HETATM   24  C   UNL     1      -4.455  -1.245  -0.276  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.206  -0.787   0.704  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.384  -1.419   0.701  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.429  -1.191   1.597  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.399  -2.288  -0.281  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.159  -2.190  -0.933  1.00  0.00           N  
HETATM   30  H   UNL     1       3.259   4.016  -0.630  1.00  0.00           H  
HETATM   31  H   UNL     1       1.328  -1.725   1.267  1.00  0.00           H  
HETATM   32  H   UNL     1       2.055  -3.678  -0.046  1.00  0.00           H  
HETATM   33  H   UNL     1       5.952  -1.979  -0.409  1.00  0.00           H  
HETATM   34  H   UNL     1       5.222  -0.026   0.900  1.00  0.00           H  
HETATM   35  H   UNL     1       3.632   0.844   2.516  1.00  0.00           H  
HETATM   36  H   UNL     1       2.004   0.138   2.662  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.847   2.976  -0.620  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.519   4.052  -1.118  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.255   1.401  -2.441  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.616   3.020  -3.088  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.927   2.477  -2.940  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.677   0.075   1.602  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.340   1.317   0.514  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.332  -0.526   2.296  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.253  -1.698   1.521  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.866  -2.702  -1.704  1.00  0.00           H  
CONECT    1    6   21    2    2                                       
CONECT    2    1    1    3   18                                       
CONECT    3    5    2   17   17                                       
CONECT    4   21   21   18   22                                       
CONECT    5   15    3   30                                            
CONECT    6   14   15    1                                            
CONECT    7   13   13    8   31                                       
CONECT    8    9    9    7   32                                       
CONECT    9   10   11    8    8                                       
CONECT   10    9                                                      
CONECT   11   12   12    9   33                                       
CONECT   12   11   11   13   34                                       
CONECT   13   12   14    7    7                                       
CONECT   14   13    6   35   36                                       
CONECT   15   16   16    6    5                                       
CONECT   16   15   15                                                 
CONECT   17    3    3                                                 
CONECT   18    2    4   19                                            
CONECT   19   18   20   37   38                                       
CONECT   20   19   39   40   41                                       
CONECT   21    1    4    4                                            
CONECT   22    4   23   42   43                                       
CONECT   23   22   24                                                 
CONECT   24   23   29   25   25                                       
CONECT   25   24   24   26                                            
CONECT   26   28   28   25   27                                       
CONECT   27   26   44   45                                            
CONECT   28   29   26   26                                            
CONECT   29   24   28   46                                            
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   29                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
