COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.624  -2.965   0.790  1.00  0.00           O  
HETATM    2  P   UNL     1       3.871  -1.876  -0.182  1.00  0.00           P  
HETATM    3  S   UNL     1       6.178   2.707  -1.049  1.00  0.00           S  
HETATM    4  N   UNL     1      -6.574   0.348  -0.709  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.723   1.406  -0.826  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.221   2.618  -1.235  1.00  0.00           N  
HETATM    7  N   UNL     1      -4.441   1.300  -0.559  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.912   0.138  -0.158  1.00  0.00           C  
HETATM    9  N   UNL     1       5.236  -1.009   0.282  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.734  -0.986  -0.018  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.112  -0.858  -0.309  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.866  -1.809  -0.196  1.00  0.00           O  
HETATM   13  N   UNL     1      -3.948  -2.010   0.395  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.722  -1.591   0.514  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.651  -0.269   0.183  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.445   0.563   0.191  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.284   1.263   1.559  1.00  0.00           C  
HETATM   18  C   UNL     1       0.241   1.252   1.810  1.00  0.00           C  
HETATM   19  O   UNL     1       0.742   2.586   1.908  1.00  0.00           O  
HETATM   20  C   UNL     1       0.821   0.546   0.564  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.266  -0.260   0.057  1.00  0.00           O  
HETATM   22  C   UNL     1       2.004  -0.341   0.957  1.00  0.00           C  
HETATM   23  O   UNL     1       2.598  -0.892  -0.220  1.00  0.00           O  
HETATM   24  C   UNL     1       5.513   0.082  -0.661  1.00  0.00           C  
HETATM   25  C   UNL     1       5.836   1.360   0.116  1.00  0.00           C  
HETATM   26  O   UNL     1       4.107  -2.506  -1.645  1.00  0.00           O  
HETATM   27  H   UNL     1       6.441   3.748  -0.239  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.516   0.461  -0.910  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.165   2.713  -1.436  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.628   3.381  -1.323  1.00  0.00           H  
HETATM   31  H   UNL     1       5.139  -0.657   1.223  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.886  -2.198   0.828  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.487   1.299  -0.611  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.655   2.287   1.510  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.803   0.705   2.338  1.00  0.00           H  
HETATM   36  H   UNL     1       0.475   0.687   2.712  1.00  0.00           H  
HETATM   37  H   UNL     1       0.365   3.095   2.638  1.00  0.00           H  
HETATM   38  H   UNL     1       1.129   1.281  -0.180  1.00  0.00           H  
HETATM   39  H   UNL     1       2.743   0.255   1.492  1.00  0.00           H  
HETATM   40  H   UNL     1       1.655  -1.149   1.600  1.00  0.00           H  
HETATM   41  H   UNL     1       6.363  -0.186  -1.288  1.00  0.00           H  
HETATM   42  H   UNL     1       4.638   0.251  -1.289  1.00  0.00           H  
HETATM   43  H   UNL     1       6.712   1.191   0.744  1.00  0.00           H  
HETATM   44  H   UNL     1       4.986   1.628   0.743  1.00  0.00           H  
HETATM   45  H   UNL     1       4.275  -1.849  -2.333  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   23   26                                       
CONECT    2    9                                                      
CONECT    3   25   27                                                 
CONECT    4    5   11   28                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   29   30                                            
CONECT    7    5    5    8                                            
CONECT    8    7   15   10   10                                       
CONECT    9    2   24   31                                            
CONECT   10    8    8   11   13                                       
CONECT   11    4   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   14                                            
CONECT   14   13   13   15   32                                       
CONECT   15    8   14   16                                            
CONECT   16   15   17   21   33                                       
CONECT   17   16   18   34   35                                       
CONECT   18   17   19   20   36                                       
CONECT   19   18   37                                                 
CONECT   20   18   21   22   38                                       
CONECT   21   16   20                                                 
CONECT   22   20   23   39   40                                       
CONECT   23    2   22                                                 
CONECT   24    9   25   41   42                                       
CONECT   25    3   24   43   44                                       
CONECT   26    2   45                                                 
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
