COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.127   3.452   0.146  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.014   2.697   0.214  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.032   1.280  -0.299  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.076   0.471   0.474  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.183  -0.932  -0.128  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.226  -1.740   0.644  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.333  -3.143   0.042  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.336  -3.919   0.784  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.707   0.674  -0.112  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.815   1.002  -1.232  1.00  0.00           C  
HETATM   11  C   UNL     1       0.532   0.365  -1.006  1.00  0.00           C  
HETATM   12  C   UNL     1       0.886  -0.854  -1.423  1.00  0.00           C  
HETATM   13  C   UNL     1       2.173  -1.231  -1.102  1.00  0.00           C  
HETATM   14  C   UNL     1       2.875  -0.308  -0.414  1.00  0.00           C  
HETATM   15  C   UNL     1       4.271  -0.467   0.047  1.00  0.00           C  
HETATM   16  C   UNL     1       4.907   0.559   0.756  1.00  0.00           C  
HETATM   17  C   UNL     1       6.214   0.361   1.165  1.00  0.00           C  
HETATM   18  C   UNL     1       6.844  -0.834   0.864  1.00  0.00           C  
HETATM   19  N   UNL     1       6.219  -1.783   0.195  1.00  0.00           N  
HETATM   20  C   UNL     1       4.974  -1.644  -0.212  1.00  0.00           C  
HETATM   21  S   UNL     1       1.877   1.117  -0.159  1.00  0.00           S  
HETATM   22  O   UNL     1      -1.997   3.157   0.689  1.00  0.00           O  
HETATM   23  H   UNL     1      -4.941   3.084  -0.234  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.117   4.363   0.480  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.285   1.280  -1.359  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.776   0.395   1.519  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.043   0.969   0.409  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.482  -0.856  -1.174  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.215  -1.430  -0.063  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.927  -1.816   1.689  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.194  -1.242   0.579  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.633  -3.067  -1.004  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.366  -3.641   0.107  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.226  -3.445   0.792  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.425  -4.850   0.404  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.301   0.957   0.768  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.244   0.624  -2.160  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.699   2.083  -1.300  1.00  0.00           H  
HETATM   39  H   UNL     1       0.213  -1.497  -1.972  1.00  0.00           H  
HETATM   40  H   UNL     1       2.586  -2.190  -1.378  1.00  0.00           H  
HETATM   41  H   UNL     1       4.392   1.482   0.977  1.00  0.00           H  
HETATM   42  H   UNL     1       6.736   1.130   1.714  1.00  0.00           H  
HETATM   43  H   UNL     1       7.864  -0.991   1.183  1.00  0.00           H  
HETATM   44  H   UNL     1       4.495  -2.446  -0.754  1.00  0.00           H  
CONECT    1    2   23   24                                            
CONECT    2   22   22    3    1                                       
CONECT    3    4    2    9   25                                       
CONECT    4    5    3   26   27                                       
CONECT    5    6    4   28   29                                       
CONECT    6    7    5   30   31                                       
CONECT    7    8    6   32   33                                       
CONECT    8    7   34   35                                            
CONECT    9    3   10   36                                            
CONECT   10    9   11   37   38                                       
CONECT   11   12   12   10   21                                       
CONECT   12   13   11   11   39                                       
CONECT   13   12   14   14   40                                       
CONECT   14   13   13   15   21                                       
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   17   41                                       
CONECT   17   16   16   18   42                                       
CONECT   18   19   19   17   43                                       
CONECT   19   20   18   18                                            
CONECT   20   15   15   19   44                                       
CONECT   21   11   14                                                 
CONECT   22    2    2                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
