COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.314  -1.416  -0.648  1.00  0.00           C  
HETATM    2  C   UNL     1       4.430  -1.755  -0.336  1.00  0.00           C  
HETATM    3  C   UNL     1       5.765  -2.219  -0.254  1.00  0.00           C  
HETATM    4  P   UNL     1      -6.154  -1.257   0.378  1.00  0.00           P  
HETATM    5  O   UNL     1      -6.042  -1.924  -0.939  1.00  0.00           O  
HETATM    6  O   UNL     1      -7.076   0.055   0.238  1.00  0.00           O  
HETATM    7  O   UNL     1      -6.819  -2.270   1.437  1.00  0.00           O  
HETATM    8  P   UNL     1      -3.741   0.373  -0.243  1.00  0.00           P  
HETATM    9  O   UNL     1      -4.664   1.685  -0.382  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.629  -0.294  -1.559  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.494  -0.774   0.957  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.276   0.799   0.269  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.387   1.610  -0.502  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.086   1.823   0.275  1.00  0.00           C  
HETATM   15  O   UNL     1       0.616   0.575   0.406  1.00  0.00           O  
HETATM   16  C   UNL     1       0.832   2.791  -0.495  1.00  0.00           C  
HETATM   17  O   UNL     1       1.106   3.953   0.290  1.00  0.00           O  
HETATM   18  C   UNL     1       2.127   1.976  -0.734  1.00  0.00           C  
HETATM   19  O   UNL     1       3.286   2.789  -0.537  1.00  0.00           O  
HETATM   20  C   UNL     1       2.026   0.879   0.362  1.00  0.00           C  
HETATM   21  N   UNL     1       2.799  -0.305  -0.022  1.00  0.00           N  
HETATM   22  N   UNL     1       3.278  -2.271  -0.829  1.00  0.00           N  
HETATM   23  N   UNL     1       6.102  -3.455  -0.751  1.00  0.00           N  
HETATM   24  N   UNL     1       6.688  -1.447   0.306  1.00  0.00           N  
HETATM   25  C   UNL     1       6.387  -0.246   0.794  1.00  0.00           C  
HETATM   26  N   UNL     1       5.133   0.244   0.748  1.00  0.00           N  
HETATM   27  C   UNL     1       4.130  -0.498   0.182  1.00  0.00           C  
HETATM   28  O   UNL     1       7.269   0.427   1.300  1.00  0.00           O  
HETATM   29  H   UNL     1       1.286  -1.565  -0.944  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.194   0.543   1.064  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.706  -2.569   1.193  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.781   2.173   0.444  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.577  -0.283   1.927  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.870  -1.663   1.052  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.168   1.111  -1.446  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.854   2.574  -0.700  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.308   2.229   1.263  1.00  0.00           H  
HETATM   38  H   UNL     1       0.378   3.073  -1.445  1.00  0.00           H  
HETATM   39  H   UNL     1       1.681   4.596  -0.147  1.00  0.00           H  
HETATM   40  H   UNL     1       2.129   1.533  -1.730  1.00  0.00           H  
HETATM   41  H   UNL     1       3.392   3.488  -1.196  1.00  0.00           H  
HETATM   42  H   UNL     1       2.368   1.264   1.323  1.00  0.00           H  
HETATM   43  H   UNL     1       5.424  -4.015  -1.160  1.00  0.00           H  
HETATM   44  H   UNL     1       7.019  -3.768  -0.692  1.00  0.00           H  
HETATM   45  H   UNL     1       4.941   1.123   1.112  1.00  0.00           H  
CONECT    1   21   22   22   29                                       
CONECT    2    3   27   27   22                                       
CONECT    3   24   24   23    2                                       
CONECT    4   11    5    5    6                                       
CONECT    4    7                                                      
CONECT    5    4    4                                                 
CONECT    6    4   30                                                 
CONECT    7    4   31                                                 
CONECT    8   12   10   10    9                                       
CONECT    8   11                                                      
CONECT    9    8   32                                                 
CONECT   10    8    8                                                 
CONECT   11    8    4   33   34                                       
CONECT   12   13    8                                                 
CONECT   13   14   12   35   36                                       
CONECT   14   16   15   13   37                                       
CONECT   15   20   14                                                 
CONECT   16   18   17   14   38                                       
CONECT   17   16   39                                                 
CONECT   18   19   20   16   40                                       
CONECT   19   18   41                                                 
CONECT   20   18   21   15   42                                       
CONECT   21   27   20    1                                            
CONECT   22    2    1    1                                            
CONECT   23    3   43   44                                            
CONECT   24   25    3    3                                            
CONECT   25   28   28   24   26                                       
CONECT   26   25   27   45                                            
CONECT   27   26    2    2   21                                       
CONECT   28   25   25                                                 
CONECT   29    1                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
