COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.976   2.173  -1.060  1.00  0.00           O  
HETATM    2  P   UNL     1       6.542   0.915  -0.154  1.00  0.00           P  
HETATM    3  O   UNL     1       7.559  -0.306  -0.409  1.00  0.00           O  
HETATM    4  O   UNL     1       6.581   1.299   1.275  1.00  0.00           O  
HETATM    5  O   UNL     1       5.048   0.460  -0.546  1.00  0.00           O  
HETATM    6  P   UNL     1       3.910  -0.402   0.197  1.00  0.00           P  
HETATM    7  O   UNL     1       4.301  -1.963   0.148  1.00  0.00           O  
HETATM    8  O   UNL     1       3.802   0.035   1.607  1.00  0.00           O  
HETATM    9  O   UNL     1       2.498  -0.178  -0.543  1.00  0.00           O  
HETATM   10  C   UNL     1       1.270  -0.726  -0.060  1.00  0.00           C  
HETATM   11  C   UNL     1       0.128  -0.324  -0.995  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.167  -0.902  -0.485  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.012  -0.309   0.364  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.764   1.062   0.936  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.838  -2.475  -0.908  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.184  -2.183   0.104  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.080  -1.022   0.659  1.00  0.00           N1+
HETATM   18  C   UNL     1      -4.106  -0.518   1.575  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.082   0.340   0.812  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.930   1.712   0.762  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.807   2.435   0.081  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.817   1.864  -0.544  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.790   2.727  -1.305  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.000   0.559  -0.521  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.159  -0.232   0.136  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.351  -1.573   0.156  1.00  0.00           O  
HETATM   27  H   UNL     1       7.867   2.501  -0.877  1.00  0.00           H  
HETATM   28  H   UNL     1       7.586  -0.611  -1.326  1.00  0.00           H  
HETATM   29  H   UNL     1       4.389  -2.318  -0.747  1.00  0.00           H  
HETATM   30  H   UNL     1       1.346  -1.813  -0.025  1.00  0.00           H  
HETATM   31  H   UNL     1       1.071  -0.344   0.942  1.00  0.00           H  
HETATM   32  H   UNL     1       0.053   0.763  -1.030  1.00  0.00           H  
HETATM   33  H   UNL     1       0.327  -0.707  -1.997  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.204   1.814   0.282  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.217   1.131   1.925  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.690   1.234   1.016  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.005  -2.868   0.255  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.635  -1.358   2.025  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.634   0.076   2.357  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.105   2.190   1.271  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.447   2.839  -2.334  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.774   2.258  -1.299  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.852   3.708  -0.834  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.914  -2.044  -0.567  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2    1    3    4    4                                       
CONECT    2    5                                                      
CONECT    3    2   28                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7    8    8                                       
CONECT    6    9                                                      
CONECT    7    6   29                                                 
CONECT    8    6    6                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   30   31                                       
CONECT   11   10   32   33   12                                       
CONECT   12   11   15   13   13                                       
CONECT   13   12   12   14   17                                       
CONECT   14   13   34   35   36                                       
CONECT   15   12   16                                                 
CONECT   16   15   37   17   17                                       
CONECT   17   13   16   16   18                                       
CONECT   18   17   38   39   19                                       
CONECT   19   18   20   20   25                                       
CONECT   20   19   19   40   21                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21   23   24                                       
CONECT   23   22   41   42   43                                       
CONECT   24   22   25   25                                            
CONECT   25   24   24   19   26                                       
CONECT   26   25   44                                                 
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
